SCHEMBL1474602

SCHEMBL1474602

Cc1ccccc1C=CC1CCN(Cc2ncc[nH]c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TRPC5 Q9UL62 1/20 0.37
▸ ACHE P22303 4/20 0.36
▸ APP P05067 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EGLN1 Q9GZT9 5/20 0.35
▸ EGLN3 Q9H6Z9 2/20 0.35
▸ BCHE P06276 1/20 0.34
▸ KDM4B O94953 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ EGLN2 Q96KS0 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
SCHEMBL1474599 1.00 MAOA (0.37) MAOAMAOBTRPC5ACHEAPP
SCHEMBL1475544 0.88 MAOA (0.52) MAOAMAOBACHEKDM4BKDM5B
SCHEMBL1475542 0.88 MAOA (0.52) MAOAMAOBACHEKDM4BKDM5B
SCHEMBL1475030 0.82 KDM5B (0.35) MAOBTRPC5ACHEALDH1A1BCHE
SCHEMBL1475031 0.82 KDM5B (0.35) MAOBTRPC5ACHEALDH1A1BCHE
SCHEMBL12748938 0.81 HPGD (0.36) MAOAMAOBACHEKDM5B
Oxalic Acid SCHEMBL1475680 0.78 VCP (0.37) ACHEALDH1A1
Oxalic Acid SCHEMBL1475678 0.78 VCP (0.37) ACHEALDH1A1
SCHEMBL1475061 0.78 MAOB (0.53) MAOAMAOBALDH1A1NPY2R
SCHEMBL12827883 0.78 KDM4A (0.31) KDM4BKDM5BKDM4AKDM5CNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 — — US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 — — US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 — — US disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 — — US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 — — EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 — — 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 (3 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 MAOA 478/4885MAOB 395/4885TRPC5 1561/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 MAOA 810/4885MAOB 706/4885TRPC5 2083/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 MAOA 478/4885MAOB 395/4885TRPC5 1561/4885

“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.

Send feedback