SCHEMBL1815897

SCHEMBL1815897

CC1(C)CN(Cc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
IKZF1 Q13422 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRM2 Q14416 4/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
HTR2A P28223 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL1816335 0.80 GRM2 (0.58) GRM2HTR2A
SCHEMBL1816331 0.80 GRM2 (0.58) GRM2HTR2A
SCHEMBL6876278 0.80 GRM5 (0.37) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1819028 0.78 GRM5 (0.41) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1817677 0.78 ENPP2 (0.40) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1821003 0.78 GRM5 (0.37) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1819023 0.77 IKZF1 (0.39) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1815295 0.77 ENPP2 (0.53) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1817239 0.76 ENPP2 (0.39) MAOAGRM5GRM1CYP2C9ADRA1A
SCHEMBL1815874 0.76 IKZF1 (0.38) MAOAGRM5GRM1CYP2C9ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP claimed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO claimed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D MAOA 133/4885GRM5 5/4885GRM1 14/4885

“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.