SCHEMBL4053409

SCHEMBL4053409

O=C(Nc1ccc(Cl)cc1Cl)N1CCCn2cccc2C1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
FAAH O00519 1/20 0.44
CACNA1G O43497 3/20 0.43
SHMT2 P34897 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
SLC6A12 P48065 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL4048628 0.89 CCR1 (0.44) TAS1R3TAS1R1TAS1R2CACNA1GSHMT2
SCHEMBL4052272 0.85 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SHMT2ALDH1A1
SCHEMBL4055124 0.83 EEF2K (0.52) TAS1R3TAS1R1TAS1R2FAAHALDH1A1
SCHEMBL4053387 0.82 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2SHMT2ALDH1A1
SCHEMBL4057583 0.79 SHMT2 (0.43) TAS1R3TAS1R1TAS1R2SHMT2ALDH1A1
SCHEMBL4051629 0.77 ADRA2C (0.48) TAS1R3TAS1R1TAS1R2SHMT2ALDH1A1
SCHEMBL13904933 0.77 CCR1 (0.46) TAS1R3TAS1R1TAS1R2SHMT2CCR1
SCHEMBL4046956 0.75 ADRA2C (0.46) TAS1R3TAS1R1TAS1R2SHMT2ALDH1A1
SCHEMBL4055918 0.75 EPHX2 (0.43) TAS1R3TAS1R1TAS1R2SHMT2MEN1
SCHEMBL4052023 0.74 RAB9A (0.41) TAS1R3TAS1R1TAS1R2SHMT2ALDH1A1

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.