SCHEMBL5048083

SCHEMBL5048083

Clc1ccc(CN2CCC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
ATM Q13315 1/20 0.63
HRH3 Q9Y5N1 1/20 0.55
ALDH1A1 P00352 2/20 0.55
CHRNA1 P02708 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL1823298 0.96 KMT2A (0.63) KMT2AMEN1ATMHRH3ALDH1A1
SCHEMBL4592427 0.95 HRH3 (0.64) KMT2AMEN1ATMHRH3ALDH1A1
SCHEMBL5040678 0.95 HRH3 (0.64) KMT2AMEN1ATMHRH3ALDH1A1
SCHEMBL29814598 0.84 KMT2A (0.67) KMT2AMEN1ATMALDH1A1CHRNA1
SCHEMBL610954 0.84 KMT2A (0.67) KMT2AMEN1ATMALDH1A1CHRNA1
SCHEMBL27731535 0.84 KMT2A (0.58) KMT2AMEN1ATMHRH3
SCHEMBL31520040 0.84 KMT2A (0.67) KMT2AMEN1ATMALDH1A1CHRNA1
SCHEMBL392531 0.84 HRH3 (0.61) KMT2AMEN1ATMHRH3CHRNA1
SCHEMBL21161033 0.84 KMT2A (0.67) KMT2AMEN1ATMALDH1A1CHRNA1
SCHEMBL14640049 0.83 CXCR4 (0.72) KMT2AMEN1ATMHRH3

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
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
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2004081007-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-09-23 WO disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed
US-6303638-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS, INCLUDING ALZHEIMER'S DISEASE, TOURETTE'S SYNDROME, COGNITIVE DYSFUNCTION E.G., DISORDERS OF ATTENTION, FOCUS AND CONCENTRATION, SUCH AS ATTENTION DEFICIT DISORDER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-16 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-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 KMT2A 1126/4885MEN1 4086/4885ATM 4703/4885

“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.