SCHEMBL4131710

SCHEMBL4131710

CN1CCN(c2ccc(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3ccccc3Cl)c2)CC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.82
SGMS2 Q8NHU3 2/20 0.45

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
SCHEMBL4125271 0.90 TACR1 (1.00) TACR1SGMS2
SCHEMBL6870073 0.85 TACR1 (0.61) TACR1SGMS2
SCHEMBL6637377 0.85 TACR1 (0.83) TACR1
Hydrochloric Acid SCHEMBL905337 0.84 TACR1 (0.81) TACR1
SCHEMBL6862358 0.83 TACR1 (0.72) TACR1
SCHEMBL17476477 0.80 TACR1 (0.83) TACR1
SCHEMBL5779622 0.76 TACR1 (0.75) TACR1
SCHEMBL6862193 0.76 TACR1 (0.80) TACR1
SCHEMBL4114128 0.76 TACR1 (0.69) TACR1SGMS2
Hydrochloric Acid SCHEMBL6869633 0.76 TACR1 (0.78) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US claimed
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP claimed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US claimed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP claimed
US-6291465-B1 Biphenyl derivatives HOFFMANN-LA ROCHE INC. 2001-09-18 US claimed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 WO claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US disclosed
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
US-6552088-B2 2'-methyl-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethyl-benzyl)-methyl-amide, for example; treating disease related to neurokinin 1 receptor HOFFMANN-LA ROCHE INC. 2003-04-22 US disclosed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US disclosed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
US-6291465-B1 Biphenyl derivatives HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 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 (6 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 TACR1 1/4885SGMS2 1165/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 TACR1 1/4885SGMS2 1116/4885
US-20020040060-A1 Biphenyl derivatives NR1H4, NR1H2, NR1H3 TACR1 16/4885SGMS2 3176/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885SGMS2 1116/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 TACR1 1/4885SGMS2 1165/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885SGMS2 1116/4885

“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.