SCHEMBL3955787

SCHEMBL3955787

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR3 P51677 2/20 0.41
EPHX2 P34913 7/20 0.41
EPHX1 P07099 1/20 0.41
FPR1 P21462 3/20 0.38
FPR2 P25090 3/20 0.38
LMNA P02545 1/20 0.38
DPP4 P27487 1/20 0.37
KCNJ6 P48051 3/20 0.36
KCNJ5 P48544 3/20 0.36
KCNJ3 P48549 3/20 0.36
POLB P06746 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
SCHEMBL3954506 0.89 EPHX2 (0.46) CCR3EPHX2EPHX1FPR1FPR2
SCHEMBL3957210 0.88 FPR1 (0.48) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL3953261 0.88 EPHX2 (0.41) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL3950790 0.86 TRPV1 (0.39) NPC1RAB9ASMN1; SMN2DPP4POLB
SCHEMBL3958772 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2CCR3FPR1
SCHEMBL3953790 0.82 TRPV1 (0.41) NPC1RAB9ASMN1; SMN2LMNADPP4
SCHEMBL3951491 0.82 RAB9A (0.44) NPC1RAB9ASMN1; SMN2FPR1FPR2
SCHEMBL3955061 0.74 CNR1 (0.43) RAB9ASMN1; SMN2CCR3EPHX2LMNA
SCHEMBL4150432 0.74 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5
SCHEMBL13905013 0.74 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2KCNJ6KCNJ5

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 719/4885SMN1; SMN2 1009/4885

“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.