SCHEMBL4407682

SCHEMBL4407682

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TOP2A P11388 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL20711274 0.83 CNR1 (0.31) TRPV1CNR1CNR2SLC6A2SLC6A4
SCHEMBL4415167 0.80 SMN1; SMN2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL19302990 0.79 TRPV1 (0.41) TRPV1CNR1CNR2TOP2A
SCHEMBL4416610 0.78 TRPV1 (0.40) TRPV1CNR1CNR2TOP2A
SCHEMBL4406037 0.77 RECQL (0.47)
SCHEMBL4409410 0.76 TRPV1 (0.44) TRPV1CNR1CNR2TOP2A
SCHEMBL4414681 0.76 TRPV1 (0.44) TRPV1CNR1CNR2TOP2A
SCHEMBL4403782 0.75 TRPV1 (0.41) TRPV1CNR1CNR2TOP2A
SCHEMBL4408285 0.75 SLC6A2 (0.31) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL20711302 0.75 TRPV1 (0.35) TRPV1CNR1CNR2

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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 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

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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS TRPV1 3864/4885CNR1 3514/4885CNR2 3114/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 TRPV1 3981/4885CNR1 485/4885CNR2 798/4885

“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.