SCHEMBL5042156

SCHEMBL5042156

CN(Cc1cccc(Cl)n1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
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
MAP2K2 P36507 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 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
SCHEMBL12060893 0.78 HRH3 (0.48) HRH3HRH4ALDH1A1LMNAMAPT
SCHEMBL3122498 0.75 TSHR (0.50) HRH3HRH4CHEK1NTRK1FYN
SCHEMBL5046128 0.75 PDCD1 (0.41) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6141679 0.74 CHEK1 (0.49) HRH3HRH4CHEK1NTRK1FYN
SCHEMBL17376555 0.73 TSHR (0.51) HRH3HRH4CHEK1NTRK1FYN
SCHEMBL6454933 0.72 TP53 (0.37) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL24267616 0.71 HRH3 (0.43) HRH3HRH4CHEK1NTRK1FYN
SCHEMBL5048920 0.70 HRH3 (0.59) HRH3HRH4CHEK1NTRK1FYN
SCHEMBL16549263 0.69 HRH3 (0.74) HRH3HRH4ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL11686957 0.69 LMNA (0.55) HRH3HRH4CHEK1NTRK1FYN

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 1756/4885CHEK1 4838/4885

“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.