SCHEMBL6231265

SCHEMBL6231265

COc1ccc(-c2nc(C)cs2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74

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
Hydrochloric Acid SCHEMBL7051112 0.99 TACR1 (0.73) TACR1
SCHEMBL6230619 0.85 TACR1 (1.00) TACR1
SCHEMBL6230730 0.85 TACR1 (0.73) TACR1
SCHEMBL7051150 0.85 TACR1 (0.73) TACR1
SCHEMBL6556017 0.84 TACR1 (0.87) TACR1
Hydrochloric Acid SCHEMBL7057560 0.84 TACR1 (0.97) TACR1
Hydrochloric Acid SCHEMBL7712907 0.84 TACR1 (0.97) TACR1
SCHEMBL8090256 0.84 TACR1 (1.00) TACR1
Hydrochloric Acid SCHEMBL7706645 0.83 TACR1 (0.70) TACR1
Hydrochloric Acid SCHEMBL7706642 0.83 TACR1 (0.70) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US claimed
EP-0675886-B1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2000-07-05 EP claimed
EP-0769300-A2 Antiemetic composition containing an NK-1 receptor antagonists PFIZER INC. (US) 1997-04-23 EP claimed
EP-0675886-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-10-11 EP claimed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO claimed
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP disclosed
US-20040220274-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-11-04 US disclosed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US disclosed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
EP-0659409-A2 Substance 1 antagonists for the inhibition of angiogenesis PFIZER INC. (US) 1995-06-28 EP disclosed
EP-0655246-A1 Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1995-05-31 EP disclosed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP disclosed
US-5393762-A Pharmaceutical agents for treatment of emesis PFIZER INC. (US) 1995-02-28 US disclosed
EP-0627221-A2 Substance P antagonists for the treatment of emesis PFIZER INC. (US) 1994-12-07 EP disclosed
US-5340826-A Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-23 US disclosed
EP-0610021-A1 Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-10 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO 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 (4 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR1 1/4885
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 TACR1 5/4885
US-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885
US-20040220274-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 TACR1 1/4885

“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.