SCHEMBL5397936

SCHEMBL5397936

O=C(O)C(Cc1ccccc1Cl)CN1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52
SLC18A3 Q16572 2/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
OPRL1 P41146 8/20 0.48
OPRK1 P41145 1/20 0.48
DRD2 P14416 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL5397934 1.00 SIGMAR1 (0.52) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5406474 0.87 SIGMAR1 (0.47) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5406482 0.87 SIGMAR1 (0.47) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4979895 0.85 SIGMAR1 (0.61) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4979892 0.85 SIGMAR1 (0.61) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4978842 0.81 OPRL1 (0.52) SIGMAR1OPRL1
SCHEMBL4977852 0.81 OPRL1 (0.52) SIGMAR1OPRL1
Trifluoroacetic Acid SCHEMBL4979515 0.81 SIGMAR1 (0.55) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4979521 0.81 SIGMAR1 (0.55) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4976324 0.80 SIGMAR1 (0.64) SIGMAR1TP53CYP1A2CYP3A4CYP2D6

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-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 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-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 SIGMAR1 10/4885TP53 4680/4885CYP1A2 805/4885

“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.