SCHEMBL5048652

SCHEMBL5048652

O[C@H]1CCN(Cc2ccc(Cl)nc2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 2/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
LTA4H P09960 6/20 0.46

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
SCHEMBL5045179 1.00 KMT2A (0.55) KMT2AMEN1ATMALDH1A1PDCD1
SCHEMBL5045185 1.00 KMT2A (0.55) KMT2AMEN1ATMALDH1A1PDCD1
SCHEMBL1976999 0.91 KMT2A (0.61) KMT2AMEN1ATMALDH1A1PDCD1
SCHEMBL1126098 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1PDCD1CD274
SCHEMBL20255702 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1PDCD1CD274
SCHEMBL1126096 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1PDCD1CD274
SCHEMBL2234417 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1PDCD1CD274
SCHEMBL20255353 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1PDCD1CD274
SCHEMBL1126239 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1PDCD1CD274
SCHEMBL31093335 0.80 KMT2A (0.59) KMT2AMEN1ATMALDH1A1

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 KMT2A 1126/4885MEN1 4086/4885ATM 4703/4885

“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.