SCHEMBL4053387

SCHEMBL4053387

O=C(Nc1ccc(Cl)cc1Cl)N1CCCn2cccc2C1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
SHMT2 P34897 1/20 0.44
ADRA2C P18825 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
LHCGR P22888 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4052272 0.95 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL4057583 0.94 SHMT2 (0.43) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL13904933 0.92 CCR1 (0.46) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL4055918 0.89 EPHX2 (0.43) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL4051629 0.88 ADRA2C (0.48) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL4050745 0.86 MAPT (0.46) TAS1R3TAS1R1TAS1R2SHMT2MAPT
SCHEMBL4046956 0.86 ADRA2C (0.46) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL4049747 0.85 SHMT2 (0.47) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C
SCHEMBL4053409 0.82 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2SHMT2RAB9A
SCHEMBL4048628 0.78 CCR1 (0.44) TAS1R3TAS1R1TAS1R2SHMT2ADRA2C

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 TAS1R3 3386/4885TAS1R1 3390/4885TAS1R2 3368/4885

“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.