SCHEMBL377433

SCHEMBL377433

Fc1ccc(NC2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
PLK4 O00444 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 1/20 0.40
TDO2 P48775 1/20 0.40

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 SCHEMBL5323520 0.98 HTR6 (0.55) HTR6CTSLCTSBCTSSCTSK
SCHEMBL4634218 0.89 HTR6 (0.46) HTR6CTSLCTSBCTSSCTSK
SCHEMBL15996809 0.87 HTR6 (0.49) HTR6CTSLCTSBCTSSCTSK
SCHEMBL12041646 0.87 HTR6 (0.68) HTR6CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL381840 0.86 HTR6 (0.69) HTR6
SCHEMBL539395 0.85 DDB1 (0.46) HTR6DDB1CRBNSLC6A3MAPK1
Hydrochloric Acid SCHEMBL1918398 0.83 DDB1 (0.44) HTR6DDB1CRBNSLC6A3MAPK1
Tert-Butyl Formate SCHEMBL27826415 0.82 HTR6 (0.46) HTR6CTSLCTSBCTSSCTSK
SCHEMBL2233187 0.81 MAOB (0.43) HTR6CTSLCTSBCTSSCTSK
SCHEMBL1566071 0.81 MAPT (0.53) DDB1CRBNSLC6A3MAPK1HTR2A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2000037467-A1 1,8-BENZONAPHTHYRIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2000-06-29 WO disclosed
CN-1080918-A Novel aminopropanol derivatives, pharmaceutical compositions containing them and process for preparing them RICHTER GEDEON VEGYESZET (HU) 1994-01-19 CN disclosed
WO-1993025528-A1 NOVEL AMINOPROPANOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed
CN-1033273-A The Stereoselective preparation of 3-replacement-4-(phenyl anilo) piperidine compounds and derivative BOC GROUP INC (US) 1989-06-07 CN disclosed
US-4735952-A ANTI-HYPERTENSIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
EP-0191603-A2 Piperidine compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 EP disclosed
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 US disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 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-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 HTR6 274/4885CTSL 2852/4885CTSB 2762/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 HTR6 224/4885CTSL 3425/4885CTSB 3155/4885

“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.