SCHEMBL1105753

SCHEMBL1105753

O=C(N1CC[C@H](c2cccc(F)c2)[C@@H](CO)C1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
KDM1A O60341 1/20 0.41
CCR5 P51681 8/20 0.39
NPC1 O15118 1/20 0.39
SCD5 Q86SK9 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CHRM4 P08173 1/20 0.38
ARG1 P05089 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL1095658 0.91 RIPK1 (0.42) RIPK1KDM1ACCR5NPC1SCD5
SCHEMBL1105763 0.91 RIPK1 (0.42) RIPK1KDM1ACCR5NPC1SCD5
SCHEMBL1095901 0.87 KDM1A (0.54) RIPK1KDM1ACCR5
SCHEMBL1095633 0.79 RIPK1 (0.42) RIPK1KDM1ACCR5NPC1SCD5
SCHEMBL1105721 0.79 BRD4 (0.41) RIPK1KDM1ACCR5HTR2CHTR2B
SCHEMBL1105983 0.77 CASR (0.41)
SCHEMBL1094966 0.77 KDM1A (0.54) RIPK1KDM1ACCR5
SCHEMBL1105747 0.77 KDM1A (0.54) RIPK1KDM1ACCR5
SCHEMBL4108855 0.75 KDM1A (0.48) KDM1ACCR5
SCHEMBL4105850 0.75 KDM1A (0.48) KDM1ACCR5

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 RIPK1 2346/4885KDM1A 2816/4885CCR5 542/4885

“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.