SCHEMBL1820604

SCHEMBL1820604

CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cn2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.37
PRMT5 O14744 7/20 0.36
IKZF2 Q9UKS7 2/20 0.35
MAOA P21397 2/20 0.34
MCHR1 Q99705 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GABRA1 P14867 1/20 0.33

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
SCHEMBL1814754 0.86 ENPP2 (0.42) ENPP2GRM5GRM1GRM2PRMT5
SCHEMBL1824466 0.83 IKZF2 (0.40) GRM5GRM1PRMT5IKZF2MAOA
SCHEMBL6875893 0.77 MCHR1 (0.38) ENPP2GRM5GRM1MAOAMCHR1
SCHEMBL6877141 0.77 ENPP2 (0.39) ENPP2GRM5GRM1MAOAMCHR1
SCHEMBL1817239 0.75 ENPP2 (0.39) ENPP2GRM5GRM1MAOAMCHR1
SCHEMBL6876204 0.74 GRM5 (0.39) ENPP2GRM5GRM1MAOAMCHR1
SCHEMBL6874779 0.72 ENPP2 (0.38) ENPP2GRM5GRM1MAOAMCHR1
SCHEMBL6874788 0.72 CYP2C9 (0.41) ENPP2GRM5GRM1MAOAMCHR1
SCHEMBL1816706 0.72 CYP2C9 (0.37) GRM5GRM1MAOAMCHR1LIPG
SCHEMBL1819932 0.72 ENPP2 (0.41) ENPP2GRM5GRM1MCHR1

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
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US claimed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US 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 ENPP2 2659/4885GRM5 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.