SCHEMBL4048346

SCHEMBL4048346

CC(C)(C)C1CCC(C2c3cccn3CCCN2C(=O)Nc2ccc(F)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
EEF2K O00418 1/20 0.38
OPRM1 P35372 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GRIN2B Q13224 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 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
SCHEMBL4051238 0.85 KMT2A (0.38) ALDH1A1SMN1; SMN2MAPTTSHRNPC1
SCHEMBL4051315 0.84 GRM5 (0.38) SMN1; SMN2OPRM1MAPK1KDM4E
SCHEMBL4052023 0.84 RAB9A (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL4055756 0.78 MAPT (0.45) ALDH1A1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL4050713 0.76 EEF2K (0.47) ALDH1A1PKMSMN1; SMN2TAS1R3TAS1R1
SCHEMBL4048435 0.76 MAPT (0.41) ALDH1A1PKMSMN1; SMN2TAS1R3TAS1R1
SCHEMBL4050143 0.76 MAPT (0.47) ALDH1A1PKMSMN1; SMN2TAS1R3TAS1R1
SCHEMBL4055029 0.76 EEF2K (0.41) ALDH1A1PKMTAS1R3TAS1R1TAS1R2
SCHEMBL4054042 0.75 MAPT (0.43) ALDH1A1PKMSMN1; SMN2TAS1R3TAS1R1
SCHEMBL4054586 0.75 TRPM8 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EL3MBTL1

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 TP53 4797/4885ALDH1A1 4812/4885PKM 2282/4885

“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.