SCHEMBL5040772

SCHEMBL5040772

CNC(C)Cc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
SLC18A2 Q05940 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SLC6A4 P31645 2/20 0.47
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5048177 0.83 SIGMAR1 (0.51) SIGMAR1SLC6A4KDM4EGAAMAPT
SCHEMBL8245704 0.81 ALDH1A1 (0.47) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL3824431 0.78 SLC6A2 (0.57) TAAR1
SCHEMBL27655120 0.78 ALDH1A1 (0.45) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL19976457 0.76 ALDH1A1 (0.44) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL8061099 0.76 ALDH1A1 (0.48) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL8061104 0.76 ALDH1A1 (0.41) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL17054165 0.76 ALDH1A1 (0.48) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL9387004 0.75 ALDH1A1 (0.42) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL3078167 0.75 ALDH1A1 (0.46) KDM4EGAAMAPTL3MBTL1ALDH1A1

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 6 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
WO-2004081007-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-09-23 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 (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 TAAR1 230/4885SLC18A2 139/4885SIGMAR1 390/4885

“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.