SCHEMBL8562869

SCHEMBL8562869

C1CCC(CN2CCOCC2)NC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
KCNH2 Q12809 3/20 0.50
HTR1D P28221 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA1B P35368 2/20 0.50
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
DPP4 P27487 1/20 0.40
CYP2D6 P10635 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL10326397 1.00 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326175 1.00 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL11144978 0.98 HTR1A (0.49) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1190924 0.94 HTR1A (0.44) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL7032911 0.94 HTR1A (0.44) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1190922 0.94 HTR1A (0.44) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL1190265 0.93 HTR1A (0.43) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL27899317 0.93 HTR1A (0.43) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL7840190 0.86 HTR1A (0.57) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL17305889 0.86 HTR1A (0.57) HTR1AHTR2AKCNH2HTR1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed
EP-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 EP disclosed
US-4550107-A Condensed diazepinones, their compositions and methods of use as pharmaceuticals DR. KARL THOMAE GMBH (DE) 1985-10-29 US disclosed
EP-0156191-A2 Condensed diazepinones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-10-02 EP disclosed
US-4396765-A ANTIASTHMATICS, BRONCHODILATORS STERLING DRUG INC. (US) 1983-08-02 US disclosed
US-4339576-A Anti-asthmatic, anti-allergic, anti-cholinergic, bronchodilator and anti-inflammatory 1-[(benzoylphenyl)-lower-alkyl]piperidines and analogs thereof STERLING DRUG INC. (US) 1982-07-13 US disclosed
EP-0052311-A1 1-((Benzoylphenyl) - lower-alkyl) piperidines and carbinol analogs and preparation thereof STERLING DRUG INC. (US) 1982-05-26 EP disclosed
US-4304911-A ANTIHISTAMINES, ANTIALLERGENS, ANTICHOLINERGIC AGENTS, ANTIINFLAMMATORY AGENTS, BRONCHODILATOR AGENTS, AND ANALGESICS STERLING DRUG INC. (US) 1981-12-08 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 HTR1A 3834/4885HTR2A 4555/4885KCNH2 1845/4885
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 HTR1A 2979/4885HTR2A 1732/4885KCNH2 1867/4885

“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.