SCHEMBL2576244

SCHEMBL2576244

CC1(C)CCC(=O)c2cn[nH]c21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.37
ESR2 Q92731 14/20 0.37
CDC7 O00311 2/20 0.33
DBF4 Q9UBU7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GRM5 P41594 1/20 0.33
HSD17B1 P14061 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ROCK1 Q13464 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL7489345 0.71 CDK2 (0.35) ESR1ESR2CDC7DBF4GRM5
SCHEMBL5944129 0.65
SCHEMBL8310387 0.64 RXRA (0.36) GRM5
SCHEMBL2576288 0.62 ALDH1A1 (0.46) KDM4EHTTGRM5
SCHEMBL1395016 0.62 GRM4 (0.41) CDK2
SCHEMBL6476656 0.62 GRM4 (0.38) CDK2
SCHEMBL6837187 0.61 HCAR2 (0.36) CDK2
SCHEMBL7685223 0.61 BAZ2A (0.31)
Water SCHEMBL6036229 0.60 GRM4 (0.40) CDK2
SCHEMBL1119749 0.60 CYP2A6 (0.39) KDM4ELMNASMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697744-B2 Substituted 5,6-dihydro-4H-thiazolo[4,5-E]indazoles and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2014-04-15 US disclosed
US-20110319425-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-12-29 US disclosed
EP-2382219-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-11-02 EP disclosed
WO-2010079238-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 WO disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 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-20110319425-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM4, GRM2 ESR1 422/4885ESR2 384/4885CDC7 4795/4885

“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.