SCHEMBL1105896

SCHEMBL1105896

C[C@@H](NCC1CN(Cc2ccc3ccccc3c2)CCC1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CASR P41180 8/20 0.42
ACKR3 P25106 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
MCHR1 Q99705 4/20 0.40
KMT2A Q03164 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
SCHEMBL1105981 0.93 ACHE (0.43) ACHESIGMAR1CASRACKR3KDM1A
SCHEMBL1106032 0.92 CASR (0.45) CASRACKR3KDM1AMAOB
SCHEMBL1106062 0.90 CASR (0.42) CASRACKR3KMT2A
SCHEMBL1106035 0.90 ACKR3 (0.46) ACHECASRACKR3KMT2A
SCHEMBL1105889 0.90 DRD4 (0.47) SIGMAR1CASRACKR3KDM1AMAOB
SCHEMBL1105967 0.89 DRD4 (0.46) ACHESIGMAR1CASRKMT2A
SCHEMBL1105968 0.89 ACKR3 (0.46) SIGMAR1CASRACKR3
SCHEMBL1105888 0.89 CCR5 (0.44) SIGMAR1CASRACKR3
SCHEMBL1106057 0.89 DRD2 (0.42) SIGMAR1CASRACKR3
SCHEMBL1105965 0.89 CASR (0.42) ACHESIGMAR1CASR

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 5 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
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 ACHE 4094/4885SIGMAR1 433/4885CASR 1/4885

“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.