SCHEMBL2125405

SCHEMBL2125405

CCCCOc1c[nH]nc1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.57
CYP2C19 P33261 4/20 0.57
CYP19A1 P11511 3/20 0.57
CYP2D6 P10635 3/20 0.57
CYP3A4 P08684 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.46
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP2A6 P11509 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 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
SCHEMBL2125444 0.96 CYP3A4 (0.52) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL28176277 0.84 CDK2 (0.47) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL2124284 0.83 CYP11B1 (0.61) CYP19A1SMN1; SMN2CYP11B1CYP11B2IDO1
SCHEMBL2122561 0.81 CYP11B1 (0.43) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL2123894 0.79 CYP3A4 (0.48) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL2123501 0.78 PPARA (0.50) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL27463979 0.76 CDK1 (0.41) SMN1; SMN2MAPTCCNE2CCNE1CDK2
SCHEMBL2124589 0.76 CYP3A4 (0.45) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL2123555 0.75 CYP3A4 (0.44) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL2122223 0.74 CYP2D6 (0.43) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 US disclosed
US-8586606-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2013-11-19 US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 US disclosed
US-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 US disclosed
CN-101939311-A Heterocyclic compounds with affinity for muscarinic receptors SOLVAY PHARM BV 2011-01-05 CN disclosed
EP-2150543-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS Solvay Pharmaceuticals B.V. (NL) 2010-02-10 EP disclosed
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors ABBVIE B.V. (NL) 2009-01-15 US disclosed
WO-2008129054-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-10-30 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 (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-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 CYP2C9 700/4885CYP2C19 482/4885CYP19A1 820/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 CYP2C9 661/4885CYP2C19 482/4885CYP19A1 287/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 CYP2C9 836/4885CYP2C19 1027/4885CYP19A1 1759/4885

“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.