SCHEMBL4403782

SCHEMBL4403782

CC(C)Cn1nnc(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TOP2A P11388 1/20 0.33

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
SCHEMBL14417091 0.85 TRPV1 (0.39) TRPV1CNR1CNR2TOP2A
SCHEMBL14417412 0.83 TRPV1 (0.38) TRPV1CNR1CNR2TOP2A
SCHEMBL4416610 0.82 TRPV1 (0.40) TRPV1CNR1CNR2TOP2A
SCHEMBL20223372 0.82
SCHEMBL4407109 0.82 TRPV1 (0.40) TRPV1CNR1CNR2TOP2A
SCHEMBL4409324 0.79 TRPV1 (0.38) TRPV1CNR1CNR2TOP2A
SCHEMBL4411833 0.79 TRPV1 (0.38) TRPV1CNR1CNR2TOP2A
SCHEMBL14417088 0.78 TRPV1 (0.37) TRPV1CNR1CNR2
SCHEMBL4408001 0.75 CNR1 (0.32) CNR1CNR2
SCHEMBL4407682 0.75 TRPV1 (0.42) TRPV1CNR1CNR2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765030-B2 Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-19 US disclosed
US-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-05-15 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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-20140134235-A1 NOVEL BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, DBI TRPV1 4694/4885CNR1 3987/4885CNR2 4092/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 TRPV1 2620/4885CNR1 3605/4885CNR2 3097/4885

“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.