SCHEMBL7032818

SCHEMBL7032818

COc1ccccc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.65
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
HCRTR2 O43614 1/20 0.47
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6604763 1.00 TACR1 (0.65) TACR1KDM1AMAOAMAOBHCRTR2
SCHEMBL7594455 0.87 TACR1 (0.50) TACR1HCRTR2
SCHEMBL7594451 0.87 TACR1 (0.50) TACR1HCRTR2
SCHEMBL7867202 0.86 TACR1 (0.60) TACR1
SCHEMBL7591379 0.86 TACR1 (0.49) TACR1HCRTR2
SCHEMBL7137909 0.86 TACR1 (0.51) TACR1
SCHEMBL7135463 0.86 TACR1 (0.51) TACR1
SCHEMBL7133654 0.86 TACR1 (0.60) TACR1
SCHEMBL8708427 0.86 TACR1 (0.51) TACR1
SCHEMBL7864432 0.86 TACR1 (0.58) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
EP-0780375-B1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER (US) 2002-09-11 EP disclosed
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 US disclosed
US-6180647-B1 GASTROINTESTINAL DISORDERS; NERVOUS SYSTEM DISORDERS PFIZER INC. 2001-01-30 US disclosed
US-6143767-A SUBSTANCE P ANTAGONIST PFIZER INC (US) 2000-11-07 US disclosed
EP-0824100-B1 Piperidinylamino tricyclic compouds as substance P antagonists PFIZER (US) 2000-09-20 EP disclosed
US-5972930-A TREATING GASTROINTESTINAL DISORDER, A CENTRAL NERVOUS SYSTEM DISORDER, AN INFLAMMATORY DISEASE, EMESIS, URINARY INCONTINENCE, PAIN, MIGRAINE, SUNBURN, ANGIOGENESIS, DISEASES CAUSED BY HELICOBACTER PYLORI PFIZER, INC. (US) 1999-10-26 US disclosed
US-5789423-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-08-04 US disclosed
EP-0824100-A1 Piperidinylamino tricyclic compouds as substance P antagonists PFIZER INC. (US) 1998-02-18 EP disclosed
EP-0780375-A1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER INC. (US) 1997-06-25 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 (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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 TACR1 687/4885KDM1A 56/4885MAOA 1034/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 TACR1 4/4885KDM1A 789/4885MAOA 712/4885

“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.