SCHEMBL20073072

SCHEMBL20073072

CCN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.43
TACR1 P25103 1/20 0.40
HTR2C P28335 4/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL20063481 0.82 SCN9A (0.43) SCN9AHTR2CKDM1AMAOBHTR2A
SCHEMBL20072886 0.77 HTR2C (0.44) SCN9AHTR2CKDM1AMAOBHTR2A
SCHEMBL20073175 0.76 SCN9A (0.42) SCN9ATACR1KDM1AMAOBMAOA
SCHEMBL20072884 0.76 SCN9A (0.42) SCN9ATACR1KDM1AMAOBMAOA
SCHEMBL15777549 0.73 KDM1A (0.60) HTR2CKDM1AMAOBMAOA
SCHEMBL20095495 0.72 HTR2C (0.39) SCN9AHTR2CHTR2AHTR2BHRH3
SCHEMBL20063390 0.71 SCN9A (0.51) SCN9AHTR2C
SCHEMBL20072933 0.70 SCN9A (0.34) SCN9A
SCHEMBL20095682 0.70 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3
SCHEMBL20072866 0.70 SCN9A (0.34) SCN9A

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-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885TACR1 65/4885HTR2C 1243/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885TACR1 66/4885HTR2C 1184/4885

“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.