SCHEMBL3174172

SCHEMBL3174172

NC(=O)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.69
HTR1A P08908 1/20 0.68
HTR2A P28223 1/20 0.68
HTR7 P34969 1/20 0.68
HTR6 P50406 1/20 0.68
AKR1C3 P42330 6/20 0.65
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HSP90AA1 P07900 1/20 0.58
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55

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
SCHEMBL1423584 0.83 AKR1C3 (0.67) CHIAAKR1C3LMNASMN1; SMN2ALDH1A1
SCHEMBL5725441 0.83 GFER (0.71) CHIAHTR1AHTR2AHTR7HTR6
SCHEMBL632099 0.83 LMNA (0.68) CHIAHTR1AHTR7AKR1C3LMNA
SCHEMBL8050846 0.81 CHIA (1.00) CHIAAKR1C3LMNASMN1; SMN2ALDH1A1
SCHEMBL14276932 0.81 CASP6 (0.69) CHIAAKR1C3LMNASMN1; SMN2ALDH1A1
SCHEMBL16221494 0.81 CA12 (0.67) AKR1C3LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL8118829 0.81 LMNA (0.53) CHIAHTR1AHTR2AHTR7HTR6
SCHEMBL3867043 0.81 HTR1A (0.67) HTR1AHTR2AHTR7HTR6AKR1C3
SCHEMBL22854086 0.81 PANK3 (0.57) CHIAHTR1AHTR2AHTR7HTR6
SCHEMBL626652 0.81 HTR1A (0.67) HTR1AHTR2AHTR7HTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 EP claimed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 WO claimed
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN disclosed
EP-3127912-B1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF UNIV ZHEJIANG (CN) 2021-04-21 EP disclosed
US-9856288-B2 Tripeptide epoxyketone compound constructed by heterocycle and preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2018-01-02 US disclosed
EP-3127912-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2017-02-08 EP disclosed
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA , CHINESE ACADEMY OF SCIENCES (CN) 2017-01-26 US disclosed
CN-104945470-A Tripeptide epoxy ketone compound constructed by heterocycle as well as preparation method and application thereof UNIV ZHEJIANG 2015-09-30 CN disclosed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
EP-2205608-B1 PREPARATION OF DIHYDROTHIENO[3, 2-D]PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INT (DE) 2013-05-08 EP disclosed
CN-101903394-A Preparation of dihydrothieno [3,2-D ] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INT 2010-12-01 CN disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
EP-2205608-A1 PREPARATION OF DIHYDROTHIENO Ý3, 2-D¨PYRIMIDINES AND INTERMEDIATES USED THEREIN Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (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-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF VIP, DNPEP, PREP CHIA 4249/4885HTR1A 4351/4885HTR2A 4518/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR CHIA 4314/4885HTR1A 2158/4885HTR2A 3255/4885

“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.