SCHEMBL1105749

SCHEMBL1105749

C[C@H](c1csc2ccccc12)N(CC1CCN(C(=O)C(F)(F)F)CC1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.38
TACR1 P25103 6/20 0.36
ALOX5 P09917 1/20 0.36
RORC P51449 1/20 0.35
KDM1A O60341 1/20 0.35
USP7 Q93009 1/20 0.35
CCR5 P51681 3/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
USP30 Q70CQ3 2/20 0.33
OPRD1 P41143 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL1096488 0.87 CCR5 (0.39) TACR1RORCKDM1ACCR5
SCHEMBL1105754 0.81 ALOX5 (0.41) HSD17B2TACR1ALOX5SLC6A2SLC6A4
SCHEMBL1105750 0.80 CCR5 (0.40) RORCCCR5
SCHEMBL1105934 0.80 CCR5 (0.41) HSD17B2TACR1RORCCCR5OPRD1
SCHEMBL1105787 0.80 KDM1A (0.41) HSD17B2TACR1ALOX5RORCKDM1A
SCHEMBL1105717 0.77 DPP4 (0.35) RORC
SCHEMBL4076516 0.76 CCR5 (0.41) RORCKDM1ACCR5
SCHEMBL1095485 0.75 CCR5 (0.38) TACR1RORCCCR5USP30
SCHEMBL1096960 0.75 CASR (0.41) RORCCCR5
SCHEMBL1095814 0.75 CCR5 (0.42) TACR1CCR5USP30

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 HSD17B2 1097/4885TACR1 99/4885ALOX5 1872/4885

“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.