SCHEMBL6897654

SCHEMBL6897654

CCC[C@H](CN1CCN(C)CC1)NC(=O)N(CCSC(C)=O)CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
GPR88 Q9GZN0 2/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.34
AVPR1A P37288 2/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL7214805 0.91 TACR1 (0.38) SIGMAR1TACR1MEN1KMT2ACTSL
SCHEMBL6897620 0.89 SIGMAR1 (0.37) MC4RSIGMAR1TACR1MEN1ALDH1A1
SCHEMBL6897650 0.84 HSD17B10 (0.40) MC4RALDH1A1CTSL
SCHEMBL6896682 0.80 HSD17B10 (0.42) MC4RALDH1A1CTSL
SCHEMBL27538415 0.79 HSD17B10 (0.46) ALDH1A1CTSLPKM
SCHEMBL6895946 0.79 HSD17B10 (0.46) ALDH1A1CTSLPKM
SCHEMBL6891371 0.79 HSD17B10 (0.46) ALDH1A1CTSLPKM
SCHEMBL27559916 0.78 LPAR1 (0.42) MEN1KMT2APOLB
SCHEMBL6896160 0.78 LPAR1 (0.42) MEN1KMT2APOLB
SCHEMBL7214151 0.78 SIGMAR1 (0.41) SIGMAR1TACR1MEN1KMT2AGAA

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 MC4R 2965/4885SIGMAR1 26/4885GPR88 2527/4885

“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.