SCHEMBL6989799

SCHEMBL6989799

CC(=O)c1ccc2c(c1O)CC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
DHPS P49366 1/20 0.37
SRC P12931 1/20 0.35
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3B P49841 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 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
SCHEMBL9835372 0.83 P2RX7 (0.40) P2RX7DHPSSRCCYP2D6CYP2C9
SCHEMBL9836449 0.82 P2RX7 (0.54) P2RX7DHPSCYP2D6CYP2C9CYP2C19
SCHEMBL9836689 0.78 CRBN (0.49) DHPSCCNB2CDK1CCNB1GSK3B
SCHEMBL28447107 0.77 DRD2 (0.42) P2RX7SRCCCNB2CDK1CCNB1
SCHEMBL6380404 0.76 DHPS (0.43) P2RX7DHPSSRCALDH1A1KDM4E
SCHEMBL5364713 0.73 P2RX7 (0.40) P2RX7DHPSSRCCCNB2CDK1
SCHEMBL18289479 0.73 AHR (0.50) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL18210028 0.70 SRC (0.41) DHPSSRCCCNB2CDK1CCNB1
SCHEMBL15823360 0.70 P2RX7 (0.55) P2RX7DHPSCCNB2CDK1CCNB1
SCHEMBL6380807 0.70 DHPS (0.41) P2RX7DHPSCYP2D6CYP2C9CYP2C19

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 10 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
CN-1044242-C Heterocyclic-cyclic amine derivatives PFIZER (US) 1999-07-21 CN 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
CN-1065267-A HETEROCYCLIC-CYCLIC AMINE DERIVATIVES PFIZER (US) 1992-10-14 CN 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 P2RX7 1201/4885DHPS 1808/4885SRC 4535/4885

“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.