SCHEMBL431801

SCHEMBL431801

CN1c2ccccc2CCC1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.56
HTR2A P28223 2/20 0.45
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CDK4 P11802 1/20 0.42
ALOX15 P16050 1/20 0.42
CCND1 P24385 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 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
Hydrochloric Acid SCHEMBL6445199 0.98 MTNR1A (0.55) MTNR1AHTR2AMEN1USP2ALDH1A1
SCHEMBL4553781 0.97 MTNR1A (0.53) MTNR1AHTR2AMEN1USP2ALDH1A1
Lithium Ion SCHEMBL4553780 0.95 MTNR1A (0.52) MTNR1AHTR2AMEN1USP2ALDH1A1
SCHEMBL22298024 0.84 MTNR1A (0.61) MTNR1AMEN1USP2ALDH1A1CDK4
SCHEMBL22364516 0.84 MTNR1A (0.61) MTNR1AMEN1USP2ALDH1A1CDK4
SCHEMBL21890123 0.83 MTNR1A (0.53) MTNR1AMEN1USP2ALDH1A1CDK4
SCHEMBL19046964 0.83 MTNR1A (0.53) MTNR1AMEN1USP2ALDH1A1CDK4
SCHEMBL19047007 0.83 MTNR1A (0.53) MTNR1AMEN1USP2ALDH1A1CDK4
SCHEMBL9470084 0.83 MTNR1A (0.59) MTNR1AHTR2AMEN1USP2ALDH1A1
SCHEMBL21081149 0.81 MTNR1A (0.58) MTNR1AMEN1USP2ALDH1A1CDK4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189049-B1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2024-03-20 EP disclosed
US-10155764-B2 Therapeutic compounds and uses thereof GENENTECH, INC (US) 2018-12-18 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
WO-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 WO disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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 (5 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885HTR2A 197/4885MEN1 3677/4885
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 MTNR1A 2150/4885HTR2A 4599/4885MEN1 2230/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885HTR2A 200/4885MEN1 3744/4885
US-10155764-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC1 MTNR1A 2150/4885HTR2A 4599/4885MEN1 2230/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885HTR2A 197/4885MEN1 3677/4885

“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.