SCHEMBL6897829

SCHEMBL6897829

CC(=O)SCCN(CCCc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.39
CYP3A4 P08684 3/20 0.39
UGCG Q16739 3/20 0.39
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
MC4R P32245 3/20 0.35
POLB P06746 2/20 0.35
MC5R P33032 2/20 0.35
MC3R P41968 2/20 0.35
MC1R Q01726 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6898176 0.95 CYP3A4 (0.39) AVPR1ACYP3A4UGCGLMNAHPGD
SCHEMBL6889400 0.91 CHRM5 (0.38) SMN1; SMN2CHRM1HTR2AALDH1A1TSHR
SCHEMBL6897496 0.91 HSD17B10 (0.45) AVPR1ACYP3A4CHRM1MC4RALDH1A1
SCHEMBL6897607 0.87 MEN1 (0.40) UGCGLMNASMN1; SMN2CHRM1MCHR1
SCHEMBL6895628 0.86 CHRM5 (0.39) SMN1; SMN2CHRM1HTR2AALDH1A1KMT2A
SCHEMBL6895946 0.86 HSD17B10 (0.46) CYP3A4CHRM1ALDH1A1TSHR
SCHEMBL27538415 0.86 HSD17B10 (0.46) CYP3A4CHRM1ALDH1A1TSHR
SCHEMBL6891371 0.86 HSD17B10 (0.46) CYP3A4CHRM1ALDH1A1TSHR
SCHEMBL6890745 0.84 MAPT (0.43) LMNASMN1; SMN2CHRM1POLBALDH1A1
SCHEMBL6898126 0.84 HSD17B10 (0.40) CHRM1MCHR1POLBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH AVPR1A 2192/4885CYP3A4 1139/4885UGCG 1365/4885

“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.