SCHEMBL13324479

SCHEMBL13324479

CNC1Cc2ccccc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.51
▸ BRD4 O60885 2/20 0.51
▸ PYGL P06737 8/20 0.51
▸ PYGM P11217 6/20 0.51
▸ AHR P35869 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ BRPF1 P55201 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL9025583 0.83 PYGL (0.53) PYGLPYGMNPC1MAPK13MAPK12
SCHEMBL9025588 0.83 PYGL (0.53) PYGLPYGMNPC1MAPK13MAPK12
SCHEMBL14108161 0.83 PYGL (0.54) CREBBPBRD4PYGLPYGMAHR
SCHEMBL2837105 0.81 PYGL (0.60) CREBBPBRD4PYGLPYGM
SCHEMBL7344411 0.80 PYGL (0.49) CREBBPBRD4PYGLPYGMAHR
SCHEMBL25329367 0.79 PYGL (0.64) CREBBPBRD4PYGLPYGMMAPT
SCHEMBL15541576 0.79 PYGL (0.64) CREBBPBRD4PYGLPYGMMAPT
SCHEMBL29900499 0.79 PYGL (0.64) CREBBPBRD4PYGLPYGMMAPT
SCHEMBL17827483 0.79 PYGL (0.45) CREBBPBRD4PYGLPYGMAHR
SCHEMBL6221253 0.77 CREBBP (0.61) CREBBPBRD4PYGLPYGMAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 — — US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 — — 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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 CREBBP 1595/4885BRD4 299/4885PYGL 3411/4885

“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.

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