SCHEMBL2009355

SCHEMBL2009355

C1=C(c2c[nH]c3ncccc23)C2CCN1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 6/20 0.50
▸ CHRM4 P08173 6/20 0.50
▸ CHRM5 P08912 6/20 0.50
▸ CHRM1 P11229 6/20 0.50
▸ CHRM3 P20309 6/20 0.50
▸ RET P07949 4/20 0.47
▸ OPRL1 P41146 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ CDC7 O00311 4/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ PDPK1 O15530 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ IKBKE Q14164 1/20 0.45
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL3923196 0.87 OPRL1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4311598 0.77 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5618155 0.74 TGFBR1 (0.71) CDC7CCNT1CCNA2CDK2CDK9
SCHEMBL12009940 0.70 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25865996 0.70 RET (0.46) RETCDC7CCNT1CCNA2CDK2
SCHEMBL16719379 0.70 TGFBR1 (0.57) CDC7CCNT1CCNA2CDK2CDK9
SCHEMBL25787927 0.69 OPRL1 (0.65) RETOPRL1OPRM1OPRK1
SCHEMBL17857690 0.69 OPRL1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL1050911 0.69 TGFBR1 (0.60) CDC7CCNT1CCNA2CDK2CDK9
SCHEMBL12422661 0.69 TMEM97 (0.53) RETCDC7CCNT1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 — — EP claimed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 — — US claimed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 — — US claimed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 — — US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 — — US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 — — US disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 — — EP disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 — — EP disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 — — US disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 — — US disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 — — US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 — — US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 — — US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 — — US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 — — US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 — — US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 — — US disclosed
WO-2008003736-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-10 — — WO 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 (2 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-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 CHRM2 18/4885CHRM4 23/4885CHRM5 13/4885
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 CHRM2 17/4885CHRM4 23/4885CHRM5 10/4885

“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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