SCHEMBL6608548

SCHEMBL6608548

COc1ccc2c(c1)CCC(=O)N2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.49
NOTUM Q6P988 1/20 0.48
TRIM24 O15164 1/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
BCL2 P10415 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL12043678 0.91 HSD17B10 (0.49) SRD5A1NOTUMTRIM24HSD17B10LMNA
SCHEMBL25316719 0.81 SMN1; SMN2 (0.40) TRIM24SMN1; SMN2
SCHEMBL6073478 0.80 TRIM24 (0.64) SRD5A1NOTUMTRIM24HSD17B10LMNA
SCHEMBL5541492 0.80 SRD5A1 (0.47) SRD5A1NOTUMHSD17B10TP53ALDH1A1
SCHEMBL8525621 0.79 TP53 (0.40) HSD17B10LMNAPOLBTP53KMT2A
SCHEMBL25318889 0.79 SRD5A1 (0.56) SRD5A1
SCHEMBL25318142 0.78 CYP2D6 (0.42) ALDH1A1SMN1; SMN2DRD2DRD1DRD5
SCHEMBL8126458 0.78 ATAD2 (0.59) SRD5A1HSD17B10LMNACYP1A2CYP11B1
SCHEMBL5541484 0.78 SMN1; SMN2 (0.43) TRIM24CYP1A2CYP11B1CYP11B2TP53
SCHEMBL19910573 0.78 SMN1; SMN2 (0.40) HSD17B10CYP11B1CYP11B2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 US disclosed
EP-0840732-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-03-07 EP disclosed
US-6180647-B1 GASTROINTESTINAL DISORDERS; NERVOUS SYSTEM DISORDERS PFIZER INC. 2001-01-30 US disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO disclosed
EP-0840732-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1998-05-13 EP disclosed
WO-1997003066-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-01-30 WO 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 (2 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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 SRD5A1 950/4885NOTUM 3521/4885TRIM24 4440/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 SRD5A1 1720/4885NOTUM 4235/4885TRIM24 4714/4885

“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.