SCHEMBL4634737

SCHEMBL4634737

O=C(c1ccccc1)N(Cc1ccc2ccccc2c1)[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.68
CHRM3 P20309 5/20 0.68
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
OPRM1 P35372 2/20 0.54
MCHR1 Q99705 3/20 0.52
DRD4 P21917 1/20 0.52
SLC6A12 P48065 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
BCHE P06276 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
SCHEMBL4635628 1.00 CHRM2 (0.68) CHRM2CHRM3CCR3SIGMAR1OPRM1
SCHEMBL3075045 0.76 CHRM2 (0.63) CHRM2CHRM3CCR3SIGMAR1
SCHEMBL3075042 0.76 CHRM2 (0.63) CHRM2CHRM3CCR3SIGMAR1
SCHEMBL4634488 0.76 SLC6A4 (0.75)
SCHEMBL4634063 0.76 SLC6A4 (0.75)
Hydrochloric Acid SCHEMBL4634693 0.75 SLC6A4 (0.73)
Hydrochloric Acid SCHEMBL4635077 0.75 SLC6A4 (0.73)
SCHEMBL11461522 0.75 CHRM2 (0.85) CHRM2CHRM3SIGMAR1OPRM1
SCHEMBL4124844 0.75 OPRM1 (0.70) CHRM2CHRM3SIGMAR1OPRM1
SCHEMBL6414218 0.72 CHRM2 (0.47) CHRM2CHRM3OPRM1DRD4SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP disclosed
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2005-06-23 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-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting AOC3, ADRB3, HTR3C CHRM2 139/4885CHRM3 69/4885CCR3 130/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C CHRM2 53/4885CHRM3 38/4885CCR3 24/4885

“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.