SCHEMBL9534140

SCHEMBL9534140

O=CN1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.66
ALDH1A1 P00352 2/20 0.66
USP2 O75604 1/20 0.66
HPGD P15428 1/20 0.63
TSHR P16473 2/20 0.62
RAB9A P51151 1/20 0.60
SIGMAR1 Q99720 1/20 0.59
BLM P54132 1/20 0.59
MAOB P27338 1/20 0.57
ACHE P22303 1/20 0.56
POLB P06746 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL252026 0.88 HPGD (0.79) ALDH1A1USP2HPGDTSHRSIGMAR1
SCHEMBL7129676 0.88 HPGD (0.79) ALDH1A1USP2HPGDTSHRSIGMAR1
SCHEMBL27989163 0.86 ALDH1A1 (0.85) ALDH1A1USP2HPGDTSHRSIGMAR1
Hydrochloric Acid SCHEMBL1597472 0.86 HPGD (0.76) ALDH1A1USP2HPGDTSHRSIGMAR1
SCHEMBL21240918 0.85 SLC6A7 (0.63) AKR1C1ALDH1A1USP2TSHRRAB9A
SCHEMBL14562621 0.85 HPGD (0.63) ALDH1A1USP2HPGDTSHRSIGMAR1
SCHEMBL29259559 0.84 AKR1C1 (0.60) AKR1C1TSHRPOLBCA12CA1
SCHEMBL3097149 0.82 HPGD (0.66) ALDH1A1USP2HPGDTSHRSIGMAR1
SCHEMBL14625978 0.82 POLB (0.64) AKR1C1ALDH1A1HPGDPOLBKDM4E
SCHEMBL1938606 0.82 HPGD (0.70) ALDH1A1USP2HPGDTSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026041790-A1 DI(DISPIRODIAZATRIPIPERAZINE)-TRIAZINE DERIVATIVES AND THEIR USE FOR TREATMENT OR PREVENTION OF VIRAL INFECTIONS Charité - Universitätsmedizin Berlin Körperschaft des öffentlichen Rechts (DE) 2026-02-26 WO disclosed
WO-2022124944-A1 DI(DIAZONIADISPIRO[5.2.5.2]HEXADECAN)-5-NITROPYRIMIDINES FOR THE TREATMENT OF CORONAVIRAL INFECTIONS FEDERAL RESEARCH CENTRE “FUNDAMENTALS OF BIOTECHNOLOGY” OF THE RUSSIAN ACADEMY OF SCIENCES (RU) 2022-06-16 WO disclosed
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-02-13 US disclosed
US-20170362262-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING PYBROP BRISTOL-MYERS SQUIBB COMPANY 2017-12-21 US disclosed
WO-2017069661-A1 PYRIMIDYL-DI(DIAZASPIRO-ALKANES) WITH ANTIVIRAL ACTIVITY Limited Liability Company “Nearmedic Plus” (RU) 2017-04-27 WO disclosed
CN-104169275-A Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-11-26 CN disclosed
CN-104159896-A Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-11-19 CN disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
WO-2008049806-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
EP-0277836-B1 THIAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-06-02 EP disclosed
US-4873255-A REDUCE BLOOD GLUCOSE AND BLOOD LIPID LEVELS SANKYO COMPANY LIMITED (JP) 1989-10-10 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 (4 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP AKR1C1 2198/4885ALDH1A1 1175/4885USP2 382/4885
US-20170362262-A1 A PROCESS FOR PREPARING HALOGENATED AZAINDOLE COMPOUNDS USING PYBROP PAXBP1, AZI2, PML AKR1C1 2720/4885ALDH1A1 4102/4885USP2 1976/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 AKR1C1 578/4885ALDH1A1 395/4885USP2 3362/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 AKR1C1 1781/4885ALDH1A1 3257/4885USP2 2174/4885

“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.