SCHEMBL5046471

SCHEMBL5046471

CNCCN(C)Cc1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
PRMT1 Q99873 5/20 0.46
CARM1 Q86X55 4/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
F10 P00742 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28473856 0.83 ALDH1A1 (0.47) KDM4EGAAMAPTL3MBTL1
SCHEMBL29607692 0.83 ALDH1A1 (0.47) KDM4EGAAMAPTL3MBTL1
SCHEMBL13536859 0.82 ALDH1A1 (0.41) KDM4EGAAMAPTL3MBTL1
SCHEMBL10354594 0.81 CARM1 (0.51) PRMT1CARM1CHRNB2CHRNA4
SCHEMBL13425381 0.79 FAAH (0.40) KDM4EGAAMAPTL3MBTL1
SCHEMBL5044623 0.78 PDE1B (0.43) F10
SCHEMBL5045220 0.76 TAAR1 (0.57) SIGMAR1CHRNB2CHRNA4KDM4EGAA
SCHEMBL611713 0.76 ALDH1A1 (0.47) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL31093399 0.76 ALDH1A1 (0.47) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL31093396 0.76 ALDH1A1 (0.47) CHRNB2CHRNA4KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345038-B2 Pyridyloxymethyl and benzisoxazole azabicyclic derivatives PFIZER, INC (US) 2008-03-18 US 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 SIGMAR1 390/4885PRMT1 2812/4885CARM1 2921/4885

“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.