SCHEMBL5966366

SCHEMBL5966366

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnccc1-c1ccccc1F

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.81
GPBAR1 Q8TDU6 12/20 0.60

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
SCHEMBL5966368 0.90 TACR1 (0.81) TACR1GPBAR1
SCHEMBL5966352 0.90 TACR1 (1.00) TACR1GPBAR1
SCHEMBL5966350 0.89 TACR1 (0.80) TACR1GPBAR1
SCHEMBL5966343 0.87 TACR1 (0.77) TACR1GPBAR1
SCHEMBL5966369 0.87 TACR1 (0.77) TACR1GPBAR1
SCHEMBL6866687 0.81 TACR1 (1.00) TACR1GPBAR1
SCHEMBL27473797 0.81 TACR1 (0.68) TACR1GPBAR1
SCHEMBL6862193 0.80 TACR1 (0.80) TACR1GPBAR1
Hydrochloric Acid SCHEMBL6869470 0.80 TACR1 (0.98) TACR1GPBAR1
Hydrochloric Acid SCHEMBL6869633 0.80 TACR1 (0.78) TACR1GPBAR1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY HOFFMANN TORSTEN 2011-03-03 US claimed
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury HOFFMANN TORSTEN 2006-11-02 US claimed
EP-1385577-B1 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA HOFFMANN LA ROCHE (CH) 2006-04-19 EP claimed
EP-1621195-A2 The use of pyridinic NK-1 receptor antagonists for the treatment of brain, spinal or nerve injury F.HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP claimed
EP-1406618-A2 USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-14 EP claimed
CN-1142144-C 4-phenyl pyridine derivatives - 2004-03-17 CN claimed
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP claimed
EP-1385577-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. Hoffman-la Roche AG (CH) 2004-02-04 EP claimed
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury F. HOFFMANN-LA ROCHE AG (CH) 2003-05-01 US claimed
WO-2003006016-A2 USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE, FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-23 WO claimed
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US claimed
WO-2002085458-A2 USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA F. HOFFMAN-LA ROCHE AG (CH) 2002-10-31 WO claimed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US claimed
CN-1270959-A 4-phenyl pyridine derivatives HOFFMANN LA ROCHE (CH) 2000-10-25 CN claimed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP claimed
US-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY HOFFMANN TORSTEN 2011-03-03 US disclosed
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury HOFFMANN TORSTEN 2006-11-02 US disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
CN-1270959-A 4-phenyl pyridine derivatives HOFFMANN LA ROCHE (CH) 2000-10-25 CN disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 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 (5 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-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY NTSR1, NTRK2, NMUR1 TACR1 14/4885GPBAR1 430/4885
US-20030004157-A1 Use of NK-1 receptor antagonists against benign prostatic hyperplasia KLK3, TACR1, TACR2 TACR1 2/4885GPBAR1 84/4885
US-20030083345-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTRK2, NTSR1, NMUR1 TACR1 9/4885GPBAR1 333/4885
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTSR1, NTRK2, NMUR1 TACR1 10/4885GPBAR1 457/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS TACR1 534/4885GPBAR1 327/4885

“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.