SCHEMBL4051238

SCHEMBL4051238

CC(C)(C)C1CCC(C2c3cccn3CCCN2C(=O)Nc2ccc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
DPP4 P27487 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4048346 0.85 TP53 (0.39) ALDH1A1SMN1; SMN2MAPTTSHRPOLB
SCHEMBL4052023 0.81 RAB9A (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL4051315 0.78 GRM5 (0.38) DPP4SMN1; SMN2KCNH2
SCHEMBL3960245 0.68 CNR2 (0.42) KMT2AMEN1DPP4USP2ALDH1A1
SCHEMBL3950790 0.67 TRPV1 (0.39) KMT2AMEN1DPP4ALDH1A1SMN1; SMN2
SCHEMBL3955787 0.66 NPC1 (0.43) DPP4SMN1; SMN2POLBNPC1RAB9A
SCHEMBL13905013 0.66 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4150432 0.66 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4152339 0.66 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4150431 0.66 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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 KMT2A 2878/4885MEN1 799/4885DPP4 3875/4885

“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.