SCHEMBL1106015

SCHEMBL1106015

C[C@@H](NCC1CCN(c2ncc(C(=O)O)s2)CC1c1cccc(F)c1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 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
Hydrochloric Acid SCHEMBL1094801 0.99 CASR (0.42) CASRCCNT1CDK9
SCHEMBL1105827 0.93 CASR (0.43) CASR
SCHEMBL1105832 0.87 CASR (0.41) CASR
SCHEMBL1105857 0.86 CASR (0.41) CASR
Hydrochloric Acid SCHEMBL1097009 0.85 CASR (0.42) CASR
SCHEMBL1105817 0.85 CASR (0.44) CASR
SCHEMBL1095964 0.84 CASR (0.43) CASR
SCHEMBL1096953 0.83 CASR (0.42) CASR
SCHEMBL1105736 0.83 CASR (0.41) CASR
SCHEMBL1105821 0.83 CASR (0.42) 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 CASR 1/4885CCNT1 4452/4885CDK9 2383/4885

“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.