SCHEMBL4801630

SCHEMBL4801630

NC1Cc2cnccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 6/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PYGL P06737 1/20 0.40
ADORA2A P29274 1/20 0.40
GOT1 P17174 1/20 0.40
KYAT1 Q16773 1/20 0.40
KYAT3 Q6YP21 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4985358 0.84 AADAT (0.56) AADATPOLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6532282 0.78 CYP3A4 (0.39) AADATLMNAPYGLGOT1KYAT1
SCHEMBL4802349 0.77 NPY1R (0.45) CA12CA1CA2CA9POLB
SCHEMBL650180 0.77 ALDH1A1 (0.53) AADATCA1CA2POLBALDH1A1
SCHEMBL650181 0.77 ALDH1A1 (0.53) AADATCA1CA2POLBALDH1A1
SCHEMBL5134148 0.77 ALDH1A1 (0.53) AADATCA1CA2POLBALDH1A1
SCHEMBL4870896 0.76 AADAT (0.43) AADATALDH1A1MEN1KMT2AADORA2A
SCHEMBL4797980 0.75 PYGL (0.47) POLBALDH1A1PYGLGAA
SCHEMBL5179725 0.74 ALDH1A1 (0.60) POLBALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22426223 0.74 ALDH1A1 (0.60) POLBALDH1A1MEN1KMT2ACYP1A2

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-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
US-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
US-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
US-20060154956-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-20060154956-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR AADAT 2393/4885CA12 3578/4885CA1 3362/4885

“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.