SCHEMBL1105914

SCHEMBL1105914

C[C@@H](NCC1CN(Cc2ccco2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.43
SIGMAR1 Q99720 1/20 0.40
TRPV6 Q9H1D0 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1105922 0.93 CASR (0.43) CASRSIGMAR1TRPV6LMNAGAA
SCHEMBL1106032 0.87 CASR (0.45) CASR
SCHEMBL1105970 0.86 ACHE (0.46) CASR
SCHEMBL1096601 0.85 CASR (0.42) CASR
SCHEMBL1106058 0.84 CASR (0.44) CASR
SCHEMBL1105958 0.84 CASR (0.46) CASR
SCHEMBL1105906 0.84 CASR (0.43) CASRSIGMAR1
SCHEMBL1106062 0.84 CASR (0.42) CASR
SCHEMBL1106035 0.84 ACKR3 (0.46) CASR
SCHEMBL10212770 0.83 CASR (0.40) 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 1/4885SIGMAR1 433/4885TRPV6 50/4885

“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.