SCHEMBL429257

SCHEMBL429257

O=C(O)NC1Cc2ccccc2N(Cc2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.77
MTNR1B P49286 5/20 0.77
TEAD1 P28347 1/20 0.56
CACNA1G O43497 6/20 0.50
CACNA1H O95180 6/20 0.50
CACNA1I Q9P0X4 6/20 0.50
BRS3 P32247 1/20 0.49
BRD4 O60885 3/20 0.48
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL25330143 0.86 TEAD1 (0.74) MTNR1AMTNR1BTEAD1CACNA1GCACNA1H
SCHEMBL30576489 0.86 TEAD1 (0.74) MTNR1AMTNR1BTEAD1CACNA1GCACNA1H
SCHEMBL651178 0.86 MTNR1A (0.60) MTNR1AMTNR1BTEAD1CACNA1GCACNA1H
SCHEMBL30478647 0.84 MTNR1A (0.70) MTNR1AMTNR1BTEAD1CACNA1GCACNA1H
SCHEMBL1982456 0.84 MTNR1A (0.70) MTNR1AMTNR1BTEAD1CACNA1GCACNA1H
SCHEMBL431819 0.82 TEAD1 (0.61) MTNR1AMTNR1BTEAD1SIRT1MEN1
SCHEMBL3287060 0.81 MTNR1A (0.54) MTNR1AMTNR1BTEAD1BRD4MEN1
SCHEMBL25330360 0.80 MTNR1A (0.52) MTNR1AMTNR1BTEAD1MEN1ALDH1A1
SCHEMBL431599 0.79 MTNR1A (0.60) MTNR1AMTNR1BCACNA1GCACNA1HCACNA1I
SCHEMBL7698967 0.78 MTNR1A (0.50) MTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124412-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2024-04-18 US disclosed
US-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 US disclosed
EP-4222143-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER Katholieke Universiteit Leuven (BE) 2023-08-09 EP disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 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
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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER YAP1, TEAD2, TEAD1 MTNR1A 1460/4885MTNR1B 1468/4885TEAD1 3/4885
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MTNR1B 98/4885TEAD1 1626/4885
US-20240124412-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 MTNR1A 4148/4885MTNR1B 4147/4885TEAD1 349/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885MTNR1B 92/4885TEAD1 1819/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MTNR1B 98/4885TEAD1 1626/4885

“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.