SCHEMBL1105776

SCHEMBL1105776

C[C@@H](NCC1CCN(c2cccc(C(=O)O)c2)CC1c1ccccc1)c1csc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.45
PPARA Q07869 6/20 0.39
HSD17B2 P37059 1/20 0.38
PPARD Q03181 2/20 0.37
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1105819 0.91 CASR (0.47) CASRHSD17B2HTR1AHTR7
SCHEMBL1105987 0.87 CASR (0.59) CASR
SCHEMBL1105800 0.87 CASR (0.38) CASRHSD17B2HTR1AALDH1A1GAA
SCHEMBL1105799 0.86 HSD17B2 (0.37) CASRHSD17B2HTR1AHTR7
Hydrochloric Acid SCHEMBL1096779 0.86 CASR (0.60) CASR
SCHEMBL1105877 0.84 HRH3 (0.39) CASRHSD17B2KDM4EALDH1A1HPGD
SCHEMBL1105813 0.83 CXCR3 (0.38) HSD17B2
SCHEMBL1097532 0.81 CASR (0.54) CASR
SCHEMBL1105792 0.80 CCR5 (0.41) CASRHSD17B2KDM4EALDH1A1HPGD
SCHEMBL1105788 0.79 PPARG (0.37) CASRPPARAHSD17B2GAA

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 CASR 1/4885PPARA 445/4885HSD17B2 1097/4885

“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.