SCHEMBL3953261

SCHEMBL3953261

CC(C)(C)c1ccc(C2c3cccn3CCCC2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 2/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
SSTR3 P32745 1/20 0.38
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3957210 0.90 FPR1 (0.48) EPHX2HTTNPC1RAB9ASMN1; SMN2
SCHEMBL3955787 0.88 NPC1 (0.43) EPHX2NPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL3954506 0.87 EPHX2 (0.46) EPHX2EPHX1FPR1FPR2
SCHEMBL3951491 0.85 RAB9A (0.44) HTTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3958772 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL3955059 0.75 RAB9A (0.43) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3950790 0.73 TRPV1 (0.39) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL3955061 0.72 CNR1 (0.43) EPHX2HTTRAB9ASMN1; SMN2MAPT
SCHEMBL4158829 0.71 SLC6A2 (0.40) HTTSMN1; SMN2MAPTTP53FPR1
SCHEMBL3953270 0.71 RAB9A (0.44) EPHX2HTTNPC1RAB9ASMN1; SMN2

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 EPHX2 2132/4885HTT 3022/4885NPC1 651/4885

“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.