SCHEMBL4872895

SCHEMBL4872895

NNc1cc(-c2ccc(Cl)cc2)c(Cl)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDO2 P48775 1/20 0.40
CASP1 P29466 1/20 0.38
LMNA P02545 1/20 0.37
AHR P35869 1/20 0.36
MAP4K4 O95819 3/20 0.36
KDR P35968 1/20 0.35
CYP1A2 P05177 1/20 0.35
KCNH2 Q12809 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
NOTUM Q6P988 2/20 0.33
GOT1 P17174 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL5918466 0.82 CASP1 (0.45) MAPTGAAALDH1A1CASP1MAP4K4
SCHEMBL12993530 0.77 CNR1 (0.47) ALDH1A1KDM4E
SCHEMBL11818693 0.76 MAPT (0.46) MAPTGAAALDH1A1KDM4EHTT
SCHEMBL4867807 0.75 AHR (0.42) MAPTHTTSMN1; SMN2TDO2CASP1
SCHEMBL10537069 0.71 SCN9A (0.40) MAPTGAAALDH1A1KDM4EHTT
SCHEMBL3561375 0.71 TDO2 (0.40) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL11541651 0.70 MAPT (0.53) MAPTGAAALDH1A1KDM4EHTT
SCHEMBL4469422 0.69 ALDH1A1 (0.43) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11822056 0.69 TDP1 (0.54) MAPTGAAALDH1A1KDM4EHTT
SCHEMBL11833039 0.68 GAA (0.41) MAPTGAAALDH1A1KDM4EHTT

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
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
WO-2006138656-A2 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators CNR1, CNR2, GPR18 MAPT 2587/4885GAA 4572/4885ALDH1A1 1157/4885

“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.