SCHEMBL5048920

SCHEMBL5048920

CN(Cc1ccc(Cl)nc1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
HRH4 Q9H3N8 1/20 0.59
ALDH1A1 P00352 2/20 0.48
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PARP1 P09874 1/20 0.44
CHEK1 O14757 1/20 0.43
NTRK1 P04629 1/20 0.43
FYN P06241 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43

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
SCHEMBL5047964 0.98 HRH3 (0.57) HRH3HRH4ALDH1A1PSEN1PSEN2
SCHEMBL6141682 0.82 HRH3 (0.56) HRH3HRH4ALDH1A1PSEN1PSEN2
SCHEMBL16549263 0.79 HRH3 (0.74) HRH3HRH4ALDH1A1PSEN1PSEN2
SCHEMBL3984660 0.79 KMT2A (0.46) ALDH1A1LTA4HKDM4E
SCHEMBL31093396 0.75 ALDH1A1 (0.47) HRH3ALDH1A1KDM4E
SCHEMBL29607692 0.75 ALDH1A1 (0.47) ALDH1A1KDM4E
SCHEMBL28473856 0.75 ALDH1A1 (0.47) ALDH1A1KDM4E
SCHEMBL31093399 0.75 ALDH1A1 (0.47) HRH3ALDH1A1KDM4E
SCHEMBL611713 0.75 ALDH1A1 (0.47) HRH3ALDH1A1KDM4E
SCHEMBL3130725 0.74 KDM4E (0.72) HRH3HRH4ALDH1A1LTA4HKDM4E

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 HRH3 2584/4885HRH4 1756/4885ALDH1A1 718/4885

“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.