SCHEMBL3572984

SCHEMBL3572984

C[C@H](c1cccc2ccccc12)N(CC1CN(Cc2ccoc2)CCC1c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
HTT P42858 1/20 0.38
CCR5 P51681 6/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CASR P41180 2/20 0.35

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
SCHEMBL3572234 0.93 HTR2A (0.39) HTR2AHTR2CHTR2BHTTCCR5
SCHEMBL1096333 0.90 CCR5 (0.36) HTR2AHTR2CHTR2BHTTCCR5
SCHEMBL1096334 0.89 HTR2A (0.37) HTR2AHTR2CHTR2BHTTCCR5
SCHEMBL1097191 0.84 CCR5 (0.38) HTR2AHTR2CHTR2BHTTCCR5
SCHEMBL1097192 0.83 HTR2A (0.37) HTR2AHTR2CHTR2BHTTCCR5
SCHEMBL1096601 0.81 CASR (0.42) HTTCASR
SCHEMBL1097156 0.76 CASR (0.42) CCR5CASR
SCHEMBL4094906 0.75 CCR5 (0.43) CCR5CASR
SCHEMBL4100857 0.75 CASR (0.41) CCR5CASR
SCHEMBL4067653 0.73 SSTR4 (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 896/4885HTR2C 1025/4885HTR2B 1182/4885

“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.