SCHEMBL4442984

SCHEMBL4442984

CCOC(=O)CCCNC(=O)c1cccc(CCl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.57
▸ PDE5A O76074 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ MAPT P10636 1/20 0.51
▸ EPHX2 P34913 1/20 0.47
▸ KIFC1 Q9BW19 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HSD17B10 Q99714 1/20 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
SCHEMBL2663026 0.94 PDE5A (0.52) HSP90AA1PDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL14172936 0.91 PDE5A (0.59) HSP90AA1PDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL13330092 0.89 CYP1A2 (0.57) HSP90AA1PDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL4441944 0.84 MAPT (0.61) HSP90AA1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11410724 0.84 SMN1; SMN2 (0.61) PDE5ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL20349597 0.84 SMN1; SMN2 (0.51) HSP90AA1PDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL5009820 0.83 MAPT (0.62) HSP90AA1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3645530 0.83 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1HPGDNPC1MAPT
SCHEMBL6313513 0.82 CYP3A4 (0.55) HSP90AA1PDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL15400405 0.81 CYP3A4 (0.68) HSP90AA1CYP1A2CYP3A4CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 — — US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 — — US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 — — US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 — — US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 — — US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 — — US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 — — US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 — — US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 — — US disclosed
CN-101626688-A Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS INC 2010-01-13 — — CN disclosed
EP-2114166-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS Reviva Pharmaceuticals, Inc. (US) 2009-11-11 — — EP disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 — — US disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 — — 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 (2 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-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors ACHE, BCHE, CHKA HSP90AA1 4085/4885PDE5A 611/4885CYP1A2 65/4885
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS ACHE, BCHE, CHKA HSP90AA1 4085/4885PDE5A 611/4885CYP1A2 65/4885

“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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