SCHEMBL6989976

SCHEMBL6989976

Cc1noc2cc3c(cc12)NC(=O)C3

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.44
▸ ACHE P22303 3/20 0.44
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ GRIA1 P42261 2/20 0.38
▸ CACNG8 Q8WXS5 2/20 0.38
▸ AHR P35869 4/20 0.38
▸ CMA1 P23946 2/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ BRD4 O60885 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ S1PR1 P21453 1/20 0.35

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
SCHEMBL6354612 0.94 BCHE (0.44) BCHEACHECHRNB2CHRNA4GRIA1
SCHEMBL27431655 0.71 CHRNB2 (0.43) CHRNB2CHRNA4BRD4
SCHEMBL31010750 0.70 AHR (0.59) GRIA1CACNG8AHRCMA1PDE3B
SCHEMBL1436084 0.69 GRIA1 (0.53) GRIA1CACNG8AHRCMA1PDE3B
SCHEMBL16196746 0.69 BRD4 (0.67) GRIA1CACNG8PDE3BPDE3ABRD4
SCHEMBL6743101 0.69 BRD4 (0.57) BRD4
SCHEMBL24754073 0.68 CHRNB2 (0.49) CHRNB2CHRNA4BRD4
SCHEMBL2307434 0.68 CHRNB2 (0.53) CHRNB2CHRNA4BRD4
SCHEMBL17120924 0.67 AHR (0.53) GRIA1CACNG8AHRCMA1PDE3B
SCHEMBL6988831 0.67 BCHE (0.45) BCHEACHEGRIA1CACNG8BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646115-B1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2003-01-22 — — EP disclosed
US-6498255-B2 CHOLINESTERASE INHIBITORS; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE; E.G., 3-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-1,2-BENZISOXAZOLE PFIZER INC. 2002-12-24 — — US disclosed
US-20020028834-A1 Heterocyclic-cyclic amine derivatives VILLALOBOS ANABELLA (US) 2002-03-07 — — US disclosed
US-6326382-B1 CHOLINESTERASE INHIBITORS; USEFUL IN ENHANCING MEMORY IN PATIENTS SUFFERING FROM DEMENTIA AND ALZHEIMER'S DISEASE EISAI CO., LTD (JP) 2001-12-04 — — US disclosed
US-5750542-A Benzisoxazole and benzisothizole derivatives as cholinesterase inhibitors PFIZER (US) 1998-05-12 — — US disclosed
US-5538984-A Methods of using piperidyl-benzisoxazole and benisothiazole derivatives as cholinesterase inhibitors PFIZER INC. (US) 1996-07-23 — — US disclosed
EP-0646115-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 1995-04-05 — — EP disclosed
WO-1992017475-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES PFIZER INC. (US) 1992-10-15 — — 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-20020028834-A1 Heterocyclic-cyclic amine derivatives BCHE, ACHE, CHRM1 BCHE 1/4885ACHE 2/4885CHRNB2 47/4885

“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.

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