SCHEMBL4870896

SCHEMBL4870896

NC1Cc2cc(-c3ccccc3)ncc2N(Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 9/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KYAT1 Q16773 2/20 0.37
KYAT3 Q6YP21 2/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
ADORA2A P29274 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GOT1 P17174 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT6 P42226 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL4870965 0.79 NPY1R (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4876140 0.78 AADAT (0.46) AADATALDH1A1ADORA2AMEN1KMT2A
SCHEMBL4985358 0.77 AADAT (0.56) AADATSMN1; SMN2ALDH1A1KYAT1KYAT3
SCHEMBL4871439 0.77 NAAA (0.43) SMN1; SMN2ALDH1A1
SCHEMBL5104953 0.76 AADAT (0.47) AADATSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4801630 0.76 AADAT (0.46) AADATALDH1A1KYAT1KYAT3ADORA2A
SCHEMBL650181 0.76 ALDH1A1 (0.53) AADATALDH1A1KYAT1KYAT3MEN1
SCHEMBL5134148 0.76 ALDH1A1 (0.53) AADATALDH1A1KYAT1KYAT3MEN1
SCHEMBL650180 0.76 ALDH1A1 (0.53) AADATALDH1A1KYAT1KYAT3MEN1
SCHEMBL5179725 0.71 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 AADAT 2382/4885SMN1; SMN2 3953/4885ALDH1A1 2100/4885

“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.