Sugi Predict

Sugi Predict / Compounds / SCHEMBL1814916

SCHEMBL1814916

SCHEMBL1814916

CN1C(=O)CN(Cc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2Cl)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ MAOA P21397 2/20 0.35
▸ CHKA P35790 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ IKZF1 Q13422 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ACHE P22303 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
SCHEMBL1814672 0.89 PIK3CG (0.33) ADRA1ACHKAP2RX7ACHE
SCHEMBL6876009 0.89 GRM5 (0.39) CYP2C9ADRA1AHRH1GRM5GRM1
SCHEMBL1816706 0.88 CYP2C9 (0.37) CYP2C9ADRA1AHRH1GRM5GRM1
SCHEMBL6872994 0.88 GRM5 (0.41) GRM5GRM1MAOAHRH3
SCHEMBL1817677 0.88 ENPP2 (0.40) CYP2C9ADRA1AHRH1GRM5GRM1
SCHEMBL1818195 0.85 CYP2C9 (0.38) CYP2C9ADRA1AHRH1GRM5GRM1
SCHEMBL1815307 0.84 ENPP2 (0.43) CYP2C9ADRA1AHRH1GRM5GRM1
SCHEMBL6874812 0.82 GRM5 (0.41) GRM5GRM1MAOAMCHR1KCNH2
SCHEMBL1813688 0.82 CYP2C9 (0.37) CYP2C9ADRA1AHRH1GRM5GRM1
SCHEMBL1817522 0.81 P2RX7 (0.38) CHKAP2RX7KCNH2HRH3

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 10 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

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 CYP2C9 569/4885ADRA1A 715/4885HRH1 529/4885

“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.