SCHEMBL20072886

SCHEMBL20072886

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MAOB P27338 4/20 0.39
KDM1A O60341 4/20 0.39
MAOA P21397 2/20 0.38
SCN9A Q15858 1/20 0.38
RCOR1 Q9UKL0 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
SCHEMBL21306749 0.88 SCN9A (0.40) KDM1ASCN9A
Hydrochloric Acid SCHEMBL21294916 0.87 SCN9A (0.39) HTR2CHTR2AHTR2BHRH3KDM1A
SCHEMBL28491550 0.83 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3KDM1A
SCHEMBL20063858 0.83 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3KDM1A
SCHEMBL20063859 0.83 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3KDM1A
Hydrochloric Acid SCHEMBL21294710 0.82 HTR2C (0.50) HTR2CHTR2AHTR2BHRH3KDM1A
Hydrochloric Acid SCHEMBL28517839 0.82 HTR2C (0.50) HTR2CHTR2AHTR2BHRH3KDM1A
SCHEMBL20063877 0.81 MAP1LC3B (0.36) HTR2CHTR2AHTR2BHRH3MAOB
SCHEMBL20063902 0.80 AKR1C3 (0.46) HTR2CMAOBKDM1AMAOARCOR1
SCHEMBL20063481 0.77 SCN9A (0.43) HTR2CHTR2AHTR2BHRH3MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HTR2C 1243/4885HTR2A 2222/4885HTR2B 1239/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 HTR2C 1243/4885HTR2A 2222/4885HTR2B 1239/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HTR2C 1184/4885HTR2A 2099/4885HTR2B 1241/4885

“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.