SCHEMBL6021064

SCHEMBL6021064

CCCN1CCN(c2cc(-c3ccc(C)cc3)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.66
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL6021041 0.91 TACR1 (0.78) TACR1
SCHEMBL6531214 0.90 TACR1 (0.62) TACR1GPBAR1
SCHEMBL905384 0.89 TACR1 (0.85) TACR1GPBAR1
SCHEMBL6021068 0.85 TACR1 (0.52) TACR1
SCHEMBL21235999 0.84 TACR1 (0.82) TACR1GPBAR1
SCHEMBL905333 0.84 TACR1 (0.85) TACR1GPBAR1
SCHEMBL21235997 0.82 TACR1 (0.86) TACR1GPBAR1
SCHEMBL905343 0.80 TACR1 (0.78) TACR1GPBAR1
SCHEMBL29467378 0.80 TACR1 (1.00) TACR1GPBAR1
SCHEMBL905330 0.80 TACR1 (1.00) 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 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 14/4885GPBAR1 430/4885
US-20060247240-A1 Method of treatment and/or prevention of brain, spinal or nerve injury NTSR1, NTRK2, NMUR1 TACR1 10/4885GPBAR1 457/4885

“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.