SCHEMBL1095901

SCHEMBL1095901

O=C(N1CC[C@H](c2ccccc2)[C@@H](CO)C1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
RIPK1 Q13546 1/20 0.45
CCR5 P51681 9/20 0.43
MAOA P21397 1/20 0.41
RORC P51449 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
RBP4 P02753 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1094966 0.90 KDM1A (0.54) KDM1ARIPK1CCR5MAOARORC
SCHEMBL1105747 0.90 KDM1A (0.54) KDM1ARIPK1CCR5MAOARORC
SCHEMBL4094920 0.88 KDM1A (0.48) KDM1ACCR5RORC
SCHEMBL4105850 0.88 KDM1A (0.48) KDM1ACCR5RORC
SCHEMBL4108855 0.88 KDM1A (0.48) KDM1ACCR5RORC
SCHEMBL1105753 0.87 RIPK1 (0.42) KDM1ARIPK1CCR5
SCHEMBL14920777 0.85 CCR5 (0.45) KDM1ACCR5MAOAALDH1A1POLB
SCHEMBL1105721 0.84 BRD4 (0.41) KDM1ARIPK1CCR5RBP4
SCHEMBL10841129 0.79 SLC6A2 (0.49) KDM1ACCR5
SCHEMBL1096468 0.79 KDM1A (0.54) KDM1ARIPK1MAOARORCALDH1A1

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 7 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-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
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP 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 KDM1A 2816/4885RIPK1 2346/4885CCR5 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.