SCHEMBL12641204

SCHEMBL12641204

NCCc1cccc(N=O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.61
▸ TAAR1 Q96RJ0 8/20 0.57
▸ DRD2 P14416 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ HTR6 P50406 4/20 0.47
▸ HTR2A P28223 2/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ CHRNA7 P36544 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ NOS2 P35228 3/20 0.42
▸ ACHE P22303 1/20 0.41
▸ NOS3 P29474 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
SCHEMBL10134884 0.83 NOS1 (0.58) NOS1LOXL2NOS2NOS3
SCHEMBL11973935 0.80 GRIN2D (0.50) NOS1TAAR1DRD2DRD1NOS2
SCHEMBL12094155 0.80 TDP1 (0.46) NOS1NOS2NOS3
SCHEMBL18403136 0.80 TDP1 (0.46) NOS1TAAR1CHRNA7NOS2NOS3
SCHEMBL659100 0.78 TAAR1 (0.70) NOS1TAAR1DRD2DRD1HTR6
SCHEMBL13283718 0.77 CYP4A11 (0.46) NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL3957562 0.75 TAAR1 (0.67) NOS1TAAR1DRD2DRD1HTR6
SCHEMBL13715502 0.75 NOS1 (0.41) NOS1CHRNA7NOS2NOS3
SCHEMBL14028969 0.75 NOS1 (0.36) NOS1CHRNA7NOS2NOS3
SCHEMBL1157243 0.75 NOS1 (0.53) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 — — US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 — — US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 — — US disclosed
US-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 — — US disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — WO disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 — — 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 (3 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 NOS1 1819/4885TAAR1 998/4885DRD2 631/4885
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 NOS1 1361/4885TAAR1 484/4885DRD2 2154/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A NOS1 2037/4885TAAR1 1212/4885DRD2 730/4885

“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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