SCHEMBL1105754

SCHEMBL1105754

C[C@H](c1csc2ccccc12)N(CC1CCNCC1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
HSD17B2 P37059 1/20 0.39
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SSTR4 P31391 2/20 0.35
SSTR1 P30872 1/20 0.35
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
SLC6A2 P23975 7/20 0.33
SLC6A4 P31645 7/20 0.33
SLC6A3 Q01959 5/20 0.33
TACR1 P25103 3/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1095799 0.85 MAPT (0.38) MAPTPKMSSTR4SSTR1SLC6A2
SCHEMBL1105749 0.81 HSD17B2 (0.38) ALOX5HSD17B2SLC6A2SLC6A4SLC6A3
SCHEMBL1096262 0.78 REN (0.37) MAPTPKMSSTR4SLC6A2SLC6A4
SCHEMBL1096138 0.78 TRPM8 (0.42) HSD17B2MAPTPKMSLC6A2SLC6A4
SCHEMBL1097046 0.78 CCR5 (0.37) SSTR4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16274994 0.77 REN (0.40) SSTR4CTSSCTSKKCNH2
SCHEMBL1095954 0.74 SSTR4 (0.35) SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL3579316 0.72 SSTR4 (0.41) MAPTPKMSSTR4SLC6A2SLC6A4
SCHEMBL1095974 0.71 CCR5 (0.39) SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL4578555 0.70 USP30 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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 (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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 ALOX5 1872/4885HSD17B2 1097/4885MAPT 4561/4885

“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.