SCHEMBL5633429

SCHEMBL5633429

O=C1c2ccccc2C(=O)N1C1CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
CHRM3 P20309 4/20 0.53
CHRM2 P08172 3/20 0.53
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
MALT1 Q9UDY8 1/20 0.49

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
SCHEMBL10485607 1.00 ACHE (0.59) ACHECHRM3CHRM2DRD2DRD4
SCHEMBL250673 0.91 ACHE (0.69) ACHECHRM3DRD2DRD4DRD3
SCHEMBL28255691 0.85 DRD2 (0.62) ACHECHRM3CHRM2DRD2DRD4
SCHEMBL13016528 0.84 ACHE (0.67) ACHECHRM3CHRM2DRD2DRD4
SCHEMBL7380311 0.83 MC4R (0.53) ACHE
SCHEMBL8712818 0.82 ACHE (0.52) ACHEMALT1
SCHEMBL8327851 0.80 ACHE (0.57) ACHECHRM3CHRM2DRD2
SCHEMBL7624980 0.80 ACHE (0.57) ACHE
SCHEMBL7240237 0.80 ACHE (0.69) ACHECHRM3CHRM2DRD2DRD4
SCHEMBL8330045 0.77 CASP3 (0.52) ACHEDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US disclosed
EP-1713782-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077918-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0310854-B1 PROCESS FOR THE MANUFACTURE OF 3-AMINO-1-BENZYL-PYRROLIDINES BAYER AG (DE) 1992-05-20 EP disclosed
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
US-4910319-A Process for preparing 3-amino-1-benzylpyrrolidines BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed
US-4851418-A Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-07-25 US disclosed
EP-0310854-A1 Process for the manufacture of 3-amino-1-benzyl-pyrrolidines BAYER AG (DE) 1989-04-12 EP disclosed
EP-0304087-A2 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-02-22 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-20070123548-A1 Pth agonists PTH1R, SSTR3, CALCR ACHE 3975/4885CHRM3 35/4885CHRM2 113/4885

“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.