SCHEMBL2044167

SCHEMBL2044167

CNC(=O)N1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL2054115 1.00 TACR1 (1.00) TACR1
SCHEMBL5010233 0.89 TACR1 (0.85) TACR1
SCHEMBL5009607 0.89 TACR1 (0.85) TACR1
SCHEMBL12646245 0.83 TACR1 (1.00) TACR1
SCHEMBL14347175 0.83 TACR1 (1.00) TACR1
SCHEMBL3172027 0.83 TACR1 (1.00) TACR1
SCHEMBL5200297 0.83 TACR1 (0.70) TACR1
SCHEMBL5199551 0.83 TACR1 (0.70) TACR1
SCHEMBL5199555 0.83 TACR1 (0.70) TACR1
SCHEMBL4317062 0.82 TACR1 (0.74) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP claimed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US claimed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US claimed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US claimed
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 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-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL TACR1 7/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 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.