SCHEMBL9965445

SCHEMBL9965445

C[C@H]1CNc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.55
CREBBP Q92793 2/20 0.55
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX2 P34913 1/20 0.45
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.36
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8986731 1.00 BRD4 (0.55) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL2620988 1.00 BRD4 (0.55) BRD4CREBBPMTNR1AMTNR1BEPHX2
Hydrochloric Acid SCHEMBL8017393 0.98 BRD4 (0.53) BRD4CREBBPMTNR1AMTNR1BEPHX2
Dimethylamine SCHEMBL7484789 0.94 BRD4 (0.50) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL21447810 0.80 BRD4 (0.40) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL22953936 0.80 BRD4 (0.51) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL15265894 0.79 MTNR1A (0.47) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL31076159 0.79 MTNR1A (0.47) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL2152470 0.79 MTNR1A (0.47) BRD4CREBBPMTNR1AMTNR1BEPHX2
SCHEMBL15265663 0.79 MTNR1A (0.47) BRD4CREBBPMTNR1AMTNR1BEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019623-B1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2018-11-28 EP claimed
US-9630923-B2 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban EUTICALS SPA (IT) 2017-04-25 US claimed
EP-3019623-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN Euticals S.P.A. (IT) 2016-05-18 EP claimed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US claimed
WO-2015004015-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2015-01-15 WO claimed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 EP claimed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
US-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2021-11-02 US disclosed
EP-3019623-B1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2018-11-28 EP disclosed
WO-2017198149-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF 江苏豪森药业集团有限公司 2017-11-23 WO disclosed
WO-2017185959-A1 FUSED IMIDAZOLE DERIVATIVES HAVING IDO/TDO INHIBITING ACTIVITY, AND PREPARATION METHOD AND USE THEREFOR 江苏豪森药业集团有限公司 2017-11-02 WO disclosed
WO-2017128896-A1 FXR AGONIST AND PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-08-03 WO disclosed
US-9163038-B2 Process for synthesis of chiral 3-substituted tetrahydroquinoline derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-20 US disclosed
US-20150038714-A1 Process for Synthesis of Chiral 3-Substituted Tetrahydroquinoline Derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-05 US disclosed
WO-2015004015-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2015-01-15 WO disclosed
WO-2015004015-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2015-01-15 WO disclosed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 EP disclosed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 BRD4 528/4885CREBBP 1887/4885MTNR1A 853/4885
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban CYP2S1, PRMT3, ARGLU1 BRD4 1014/4885CREBBP 4741/4885MTNR1A 1216/4885
US-20150038714-A1 Process for Synthesis of Chiral 3-Substituted Tetrahydroquinoline Derivatives TH, DHPS, QDPR BRD4 1153/4885CREBBP 3036/4885MTNR1A 2182/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 BRD4 528/4885CREBBP 1887/4885MTNR1A 853/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.