SCHEMBL2300689

SCHEMBL2300689

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(Cl)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.34
OPRL1 P41146 1/20 0.33
CNR1 P21554 1/20 0.33
BACE1 P56817 2/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
HEXA P06865 2/20 0.32
HEXB P07686 2/20 0.32
MEN1 O00255 2/20 0.32
SLC22A1 O15245 1/20 0.32
DHFR P00374 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL3394974 0.94 USP7 (0.35) USP7CNR1ALDH1A1LMNATDP1
SCHEMBL16496400 0.94 USP7 (0.35) USP7CNR1ALDH1A1LMNATDP1
SCHEMBL2299674 0.93 USP7 (0.35) USP7HTR2AHTR2BHTR2C
SCHEMBL2297568 0.92 USP7 (0.32) USP7HTR2AHTR2BHTR2CKDM4E
SCHEMBL2299439 0.91 MET (0.33) USP7LMNAMAPTKMT2AHTR2A
SCHEMBL2297601 0.90 RECQL (0.34) USP7BACE1ALDH1A1LMNAMAPT
SCHEMBL3399425 0.90 FYN (0.32)
SCHEMBL2298471 0.89 L3MBTL1 (0.33) HTR2AHTR2BHTR2C
SCHEMBL2298477 0.89 JAK1 (0.38) KMT2AHEXAHEXBMEN1SMN1; SMN2
SCHEMBL3399594 0.89 HTR2A (0.31) HTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 USP7 3474/4885OPRL1 2044/4885CNR1 3833/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885OPRL1 2103/4885CNR1 3702/4885

“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.