SCHEMBL3952189

SCHEMBL3952189

O=C(Nc1ccc(C(F)(F)F)cc1)C1CCn2cccc2C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
CCR3 P51677 1/20 0.41
NAMPT P43490 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
THRB P10828 1/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PAX8 Q06710 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4150628 0.94 BRD4 (0.48) BRD4NPC1RAB9ACYP3A4KCNH2
SCHEMBL13904944 0.94 BRD4 (0.48) BRD4NPC1RAB9ACYP3A4KCNH2
SCHEMBL13905001 0.94 BRD4 (0.48) BRD4NPC1RAB9ACYP3A4KCNH2
SCHEMBL3951555 0.91 TRPV1 (0.44) BRD4TRPV1CCR3NAMPTMAPT
SCHEMBL3952156 0.87 RAB9A (0.47) NPC1RAB9ATHRBMAPTRXFP1
SCHEMBL3953364 0.86 LIPE (0.51) NPY2RMAPTEPHX2
SCHEMBL3955061 0.85 CNR1 (0.43) BRD4RAB9ATRPV1CCR3MAPT
SCHEMBL3953034 0.84 MAPT (0.42) NPC1RAB9AMAPT
SCHEMBL13914799 0.81 DEGS1 (0.51) RAB9ANAMPTMAPTDEGS1
SCHEMBL13914797 0.81 DEGS1 (0.51) RAB9ANAMPTMAPTDEGS1

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
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 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 (1 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 BRD4 215/4885NPC1 651/4885RAB9A 719/4885

“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.