SCHEMBL3958772

SCHEMBL3958772

CC(C)(C)c1ccc(C2c3cccn3CCCC2NC(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
P2RY1 P47900 1/20 0.37
MOGAT2 Q3SYC2 1/20 0.37
CCR3 P51677 2/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL3955787 0.85 NPC1 (0.43) NPC1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL3951491 0.84 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNAFPR1
SCHEMBL3954506 0.83 EPHX2 (0.46) CCR3FPR1FPR2
SCHEMBL3957210 0.80 FPR1 (0.48) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL3953261 0.80 EPHX2 (0.41) NPC1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL4055756 0.78 MAPT (0.45) L3MBTL1GAASMN1; SMN2ALDH1A1MOGAT2
SCHEMBL4048954 0.76 MAPT (0.51) L3MBTL1GAASMN1; SMN2ALDH1A1MOGAT2
SCHEMBL4145980 0.74 HTT (0.55) NPC1RAB9APOLBL3MBTL1GAA
SCHEMBL13904749 0.74 HTT (0.55) NPC1RAB9APOLBL3MBTL1GAA
SCHEMBL4143161 0.74 HTT (0.55) NPC1RAB9APOLBL3MBTL1GAA

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 NPC1 651/4885RAB9A 719/4885POLB 3792/4885

“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.