SCHEMBL3957210

SCHEMBL3957210

CC(C)(C)c1ccc(C2c3cccn3CCCC2NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.48
FPR2 P25090 4/20 0.48
EPHX1 P07099 2/20 0.45
EPHX2 P34913 2/20 0.45
F10 P00742 1/20 0.43
CNR1 P21554 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL3954506 0.92 EPHX2 (0.46) FPR1FPR2EPHX1EPHX2
SCHEMBL3953261 0.90 EPHX2 (0.41) FPR1FPR2EPHX1EPHX2SMN1; SMN2
SCHEMBL3955787 0.88 NPC1 (0.43) FPR1FPR2EPHX1EPHX2SMN1; SMN2
SCHEMBL3951491 0.88 RAB9A (0.44) FPR1FPR2SMN1; SMN2MEN1HTT
SCHEMBL3955059 0.85 RAB9A (0.43) CNR1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL3953270 0.81 RAB9A (0.44) EPHX2CNR1SMN1; SMN2MEN1HTT
SCHEMBL3958772 0.80 NPC1 (0.44) FPR1FPR2SMN1; SMN2MEN1KMT2A
SCHEMBL3955061 0.76 CNR1 (0.43) EPHX2CNR1SMN1; SMN2MEN1HTT
SCHEMBL4158829 0.73 SLC6A2 (0.40) FPR1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL3950790 0.73 TRPV1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1TP53

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 FPR1 394/4885FPR2 640/4885EPHX1 1663/4885

“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.