SCHEMBL5044839

SCHEMBL5044839

Clc1ccc(Cn2ccnc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.67
CYP11B2 P19099 12/20 0.67
CYP19A1 P11511 5/20 0.67
CYP2A6 P11509 1/20 0.67
CYP2B6 P20813 1/20 0.67
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
TBXAS1 P24557 1/20 0.59
QPCT Q16769 1/20 0.59
CYP4Z1 Q86W10 1/20 0.59
QPCTL Q9NXS2 1/20 0.59

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
SCHEMBL1024261 0.84 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.82 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL5757386 0.81 CYP19A1 (0.60) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL570342 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1126828 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2236412 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL7077754 0.80 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2730259 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL23431368 0.79 GAA (0.65) POLBMAPT
SCHEMBL2529997 0.78 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US claimed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP claimed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
CN-100389115-C Pyridyloxymethyl and benziso * azole azabicyclic derivatives PFIZER (US) 2008-05-21 CN disclosed
US-7345038-B2 Pyridyloxymethyl and benzisoxazole azabicyclic derivatives PFIZER, INC (US) 2008-03-18 US disclosed
CN-1759116-A Pyridyloxymethyl and benzisoxazole azabicyclic derivatives PFIZER (US) 2006-04-12 CN disclosed
EP-1608648-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES Pfizer Products Inc. (US) 2005-12-28 EP disclosed
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine PFIZER INC 2005-02-03 US disclosed
WO-2004081007-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-09-23 WO disclosed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 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-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR CYP11B1 919/4885CYP11B2 1077/4885CYP19A1 1973/4885
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine GRM7, GRIN2C, HTR7 CYP11B1 403/4885CYP11B2 475/4885CYP19A1 1577/4885

“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.