SCHEMBL17232811

SCHEMBL17232811

Cc1nnc2ccc(C(=O)O)cn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ ALPG P10696 1/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MET P08581 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ MAPK14 Q16539 6/20 0.39
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL20343809 0.86 CCNC (0.47) CCNCCDK8KDM4EMEN1KMT2A
SCHEMBL13687344 0.84 CDK8 (0.46) CCNCCDK8KDM4EKMT2ASMN1; SMN2
SCHEMBL19297292 0.81 CCNC (0.44) CCNCCDK8KDM4EKMT2AALDH1A1
SCHEMBL251360 0.79 AKR1B1 (0.41) CCNCCDK8KDM4EMEN1KMT2A
SCHEMBL18798779 0.78 NR4A1 (0.43) KDM4EMEN1KMT2AALPGAKR1B1
SCHEMBL20053788 0.78 MET (0.48) KDM4EMEN1KMT2AALPGAKR1B1
SCHEMBL17229797 0.78 MAPK14 (0.59) KDM4EALPGAKR1B1METMAPK14
SCHEMBL16619439 0.76 CCNC (0.40) CCNCCDK8KDM4ESMN1; SMN2MAPK14
SCHEMBL21818561 0.75 MAPK14 (0.46) KDM4EMEN1KMT2AALPGAKR1B1
SCHEMBL10378912 0.74 KDM4E (0.40) KDM4EMEN1KMT2AGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 — — US disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 — — CN disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 — — CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 — — CN disclosed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 — — US disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-03-21 — — US disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 — — US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 — — US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 — — US disclosed
US-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 — — US disclosed
US-9777010-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-10-03 — — US disclosed
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-31 — — US disclosed
US-9637450-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-02 — — US disclosed
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-22 — — US disclosed
US-9434727-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-09-06 — — US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 — — US disclosed
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 — — US disclosed
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-01-28 — — US disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 — — US 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 (12 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CCNC 509/4885CDK8 1945/4885KDM4E 1520/4885
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CCNC 1479/4885CDK8 1331/4885KDM4E 1304/4885
US-20160368925-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CCNC 521/4885CDK8 1962/4885KDM4E 1562/4885
US-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 CCNC 1214/4885CDK8 1857/4885KDM4E 1073/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CCNC 509/4885CDK8 1945/4885KDM4E 1520/4885
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors PYM1, MAG, MAGI3 CCNC 1093/4885CDK8 2433/4885KDM4E 1901/4885
US-20170247327-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CCNC 213/4885CDK8 4030/4885KDM4E 4528/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CCNC 3644/4885CDK8 3589/4885KDM4E 2853/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 CCNC 3644/4885CDK8 3589/4885KDM4E 2853/4885
US-20160046649-A1 N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE HRH3, CBR3, KCNH3 CCNC 28/4885CDK8 1761/4885KDM4E 723/4885
US-20160024007-A1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE CLN6, ALDH1A2, C1S CCNC 213/4885CDK8 4030/4885KDM4E 4528/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 CCNC 4279/4885CDK8 1300/4885KDM4E 2393/4885

“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.

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