SCHEMBL5044623

SCHEMBL5044623

COCCN(C)Cc1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.43
F10 P00742 1/20 0.43
BRAF P15056 1/20 0.41
TSHR P16473 1/20 0.40
LTA4H P09960 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39

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) ALDH1A1
SCHEMBL29607692 0.83 ALDH1A1 (0.47) ALDH1A1
SCHEMBL13536859 0.82 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL10354594 0.81 CARM1 (0.51) ALDH1A1
SCHEMBL1633439 0.81 MEN1 (0.47) NPC1RAB9AALDH1A1POLB
SCHEMBL1634410 0.80 MEN1 (0.46) NPC1RAB9AALDH1A1POLB
SCHEMBL13425381 0.79 FAAH (0.40) TSHRALDH1A1
SCHEMBL16549287 0.78 MEN1 (0.52) F10TSHRLTA4H
SCHEMBL5046471 0.78 SIGMAR1 (0.47) F10
SCHEMBL12723452 0.77 MEN1 (0.44) NPC1RAB9AALDH1A1POLB

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 PDE1B 734/4885F10 3455/4885BRAF 2363/4885

“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.