SCHEMBL233944

SCHEMBL233944

Cc1ccc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 13/20 0.61
HTR1A P08908 12/20 0.61
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C9 P11712 3/20 0.61
ADRB1 P08588 7/20 0.56
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
ADRB2 P07550 2/20 0.50
HRH2 P25021 2/20 0.50
HTR1B P28222 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 2/20 0.50
HTR7 P34969 2/20 0.50
HRH1 P35367 2/20 0.50
HTR5A P47898 2/20 0.50
HTR6 P50406 2/20 0.50
HTR3E A5X5Y0 1/20 0.50

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
SCHEMBL13419460 0.93 HTR3A (0.56) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL6580002 0.87 ADRB1 (0.59) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL26418613 0.84 DRD2 (0.50) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL255197 0.83 HTR3A (0.67) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL12908043 0.82 ALDH1A1 (0.58) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL21808285 0.81 ADRB1 (0.56) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2534803 0.81 HTR3A (0.68) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL13419187 0.81 ALDH1A1 (0.61)
SCHEMBL29831886 0.81 HTR3A (0.60) HTR3AHTR1ACYP1A2CYP3A4CYP2D6
SCHEMBL232523 0.81 HTR3A (0.60) HTR3AHTR1ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
WO-2022000031-A1 NOVEL COMPOUNDS Pakinax Pty Ltd (AU) 2022-01-06 WO disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 US disclosed
WO-2020210377-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
WO-2020210383-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
EP-2345640-A1 Adamantyl- acetamide derivatives as inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7880001-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-02-01 US disclosed
US-20100222316-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2010-09-02 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 US disclosed
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1751108-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 US disclosed
WO-2005108368-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2005-11-17 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 (6 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-20100222316-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HTR3A 2687/4885HTR1A 1692/4885CYP1A2 146/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HTR3A 1421/4885HTR1A 1149/4885CYP1A2 197/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 HTR3A 4126/4885HTR1A 3666/4885CYP1A2 2292/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 HTR3A 2687/4885HTR1A 1692/4885CYP1A2 146/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 HTR3A 1736/4885HTR1A 564/4885CYP1A2 58/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 HTR3A 4126/4885HTR1A 3666/4885CYP1A2 2292/4885

“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.