SCHEMBL1105799

SCHEMBL1105799

C[C@@H](NCC1CCN(c2c(F)cc(C(=O)O)cc2F)CC1c1ccccc1)c1csc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.37
CASR P41180 12/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
MAPT P10636 1/20 0.32
APP P05067 1/20 0.32
CCR5 P51681 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
SCHEMBL1105800 0.91 CASR (0.38) HSD17B2CASRHTR1AMAPT
SCHEMBL1105819 0.87 CASR (0.47) HSD17B2CASRHTR1AHTR7
SCHEMBL1105776 0.86 CASR (0.45) HSD17B2CASRHTR1AHTR7
SCHEMBL1105996 0.86 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL1096580 0.85 CASR (0.49) CASR
SCHEMBL1105877 0.83 HRH3 (0.39) HSD17B2CASRMAPT
SCHEMBL1106000 0.83 HTR1A (0.32) HSD17B2HTR1A
SCHEMBL1105813 0.82 CXCR3 (0.38) HSD17B2
SCHEMBL1106002 0.82 CASR (0.46) CASR
SCHEMBL1105963 0.80 CASR (0.49) CASR

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 1097/4885CASR 1/4885HTR1A 1308/4885

“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.