SCHEMBL4680462

SCHEMBL4680462

Cc1ccccc1CNC(=O)Oc1ccc(CSC(=O)N2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.36
FAAH O00519 1/20 0.36

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
Hydrochloric Acid SCHEMBL4678442 0.99 LMNA (0.41) LMNAKDM4EMAPTEPHX2NPC1
SCHEMBL905850 0.87 NPC1 (0.47) NPC1RAB9AALDH1A1HTTFAAH
Hydrochloric Acid SCHEMBL4677737 0.86 NPC1 (0.46) NPC1RAB9AALDH1A1HTTFAAH
SCHEMBL4684855 0.84 ALDH1A1 (0.48) NPC1RAB9AALDH1A1HPGDFAAH
SCHEMBL4677203 0.83 CHRM3 (0.43) NPC1RAB9AALDH1A1HTTFAAH
SCHEMBL4681022 0.83 TPSAB1 (0.39) FAAH
Hydrochloric Acid SCHEMBL4684401 0.83 ALDH1A1 (0.47) NPC1RAB9AALDH1A1HPGDFAAH
Hydrochloric Acid SCHEMBL4684864 0.83 CHRM3 (0.43) NPC1RAB9AALDH1A1HTTFAAH
Hydrochloric Acid SCHEMBL4681632 0.82 TPSAB1 (0.38) FAAH
SCHEMBL4678512 0.81 MGLL (0.41) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 LMNA 4209/4885KDM4E 912/4885MAPT 2976/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 LMNA 4209/4885KDM4E 912/4885MAPT 2976/4885

“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.