SCHEMBL25329972

SCHEMBL25329972

O=C(O)NC1Cc2ccccc2N(C2CCCCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.45
OPRK1 P41145 6/20 0.45
OPRL1 P41146 6/20 0.45
NOTUM Q6P988 1/20 0.43
CCKBR P32239 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39

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
SCHEMBL27057498 0.83 KMT2A (0.45) OPRM1OPRK1OPRL1CCKBR
SCHEMBL3785883 0.78 AADAT (0.56) PYGLPYGM
SCHEMBL4800991 0.76 PYGL (0.43) LMNAPYGLPYGM
SCHEMBL4800980 0.76 PYGL (0.43) LMNAPYGLPYGM
SCHEMBL14169878 0.74 OPRM1 (0.52) OPRM1OPRK1OPRL1NOTUMNPSR1
SCHEMBL29073300 0.73 OPRM1 (0.44) OPRM1OPRK1OPRL1NOTUMALDH1A1
SCHEMBL14169879 0.72 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUM
SCHEMBL14170209 0.72 OPRM1 (0.46) OPRM1OPRK1OPRL1NOTUMNPSR1
SCHEMBL25329754 0.71 ALDH1A1 (0.37) ALDH1A1HTTTSHRPYGLPYGM
SCHEMBL14170005 0.70 OPRM1 (0.44) OPRM1OPRK1OPRL1NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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 OPRM1 3736/4885OPRK1 2777/4885OPRL1 4395/4885

“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.