SCHEMBL6019565

SCHEMBL6019565

Cc1ccc(-c2nc(N3CCOCC3=O)ccc2N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.49
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
TACR3 P29371 5/20 0.39
CYP3A4 P08684 2/20 0.39
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL6019571 0.85 TACR1 (0.62) TACR1TACR3CYP3A4
SCHEMBL5966330 0.81 TACR1 (0.63) TACR1TACR3CYP3A4
SCHEMBL6664695 0.78 TACR1 (0.47) TACR1TACR3CYP3A4
SCHEMBL5759750 0.76 TACR1 (0.78) TACR1TACR3CYP3A4
SCHEMBL5778839 0.74 TACR1 (0.65) TACR1TACR3
SCHEMBL7760176 0.74 TACR1 (0.78) TACR1TACR3CYP3A4
SCHEMBL6016366 0.73 TACR1 (0.51) TACR1TACR3CYP3A4
SCHEMBL6521395 0.73 TACR1 (0.48) TACR1TACR3
SCHEMBL6521392 0.71 TACR1 (0.44) TACR1TACR3CYP3A4
SCHEMBL6664699 0.68 TACR1 (0.57) TACR1TACR3CYP3A4

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 2 patents. 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 disclosed
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury HOFFMANN TORSTEN 2006-11-02 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-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY NTSR1, NTRK2, NMUR1 TACR1 14/4885RAF1 392/4885BRAF 838/4885
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTSR1, NTRK2, NMUR1 TACR1 10/4885RAF1 394/4885BRAF 789/4885

“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.