SCHEMBL1470908

SCHEMBL1470908

CC(C)Nc1ccccc1NCCN(Cc1cccc(C(=O)N2CCCCC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
HPGD P15428 1/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 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
SCHEMBL1471442 0.90 HTR1A (0.52) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1471446 0.89 HDAC1 (0.41) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1470736 0.89 NPC1 (0.41) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1470751 0.86 SMN1; SMN2 (0.42) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1470682 0.86 HRH3 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL8306315 0.84 KMT2A (0.51) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1471024 0.81 HTR1A (0.53) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1470886 0.78 RAB9A (0.45) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL1471026 0.77 HTR1A (0.53) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL8307159 0.76 MEN1 (0.52) HTR1ADRD2ADRA1DHTR1BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (2 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 HTR1A 286/4885DRD2 434/4885ADRA1D 817/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 HTR1A 286/4885DRD2 434/4885ADRA1D 817/4885

“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.