SCHEMBL117252

SCHEMBL117252

O=C(O)c1cccc(N2CCNCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
HSD17B10 Q99714 3/20 0.73
HPGD P15428 2/20 0.73
KDM4E B2RXH2 2/20 0.73
MEN1 O00255 2/20 0.73
GAA P10253 2/20 0.73
KMT2A Q03164 2/20 0.73
KMO O15229 1/20 0.67
ADRB1 P08588 4/20 0.60
HTR3E A5X5Y0 3/20 0.60
HTR3B O95264 3/20 0.60
HTR3A P46098 3/20 0.60
HTR3D Q70Z44 3/20 0.60
HTR3C Q8WXA8 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
HTR2C P28335 3/20 0.60
HTR1A P08908 2/20 0.60
HTR7 P34969 2/20 0.60
HTR6 P50406 2/20 0.60
CYP1A2 P05177 2/20 0.60

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
SCHEMBL30966888 1.00 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDKDM4EMEN1
Hydrochloric Acid SCHEMBL31349273 0.98 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDKDM4EMEN1
Hydrochloric Acid SCHEMBL30444622 0.98 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL31107600 0.87 ADRB1 (0.60) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL3868910 0.87 ADRB1 (0.60) ALDH1A1HSD17B10HPGDKDM4EMEN1
Phenylpiperazine SCHEMBL3424663 0.86 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDKDM4EMEN1
Hydrochloric Acid SCHEMBL3072477 0.85 ADRB1 (0.58) ALDH1A1HSD17B10HPGDKDM4EMEN1
Hydrochloric Acid SCHEMBL6503848 0.85 ADRB1 (0.58) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL3453744 0.85 ADRB1 (0.58) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL1517203 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
US-10253006-B2 Assay for the detection of the phenylpiperazine family RANDOX LABORATORIES LIMITED (GB) 2019-04-09 US claimed
US-20160229824-A1 ASSAY FOR THE DETECTION OF THE PHENYLPIPERAZINE FAMILY NORTHERN BANK LIMITED (IE) 2016-08-11 US claimed
EP-2631231-B1 Assay for the detection of the phenypiperazine family RANDOX LAB LTD (GB) 2016-04-20 EP claimed
US-20130224882-A1 Assay for the Detection of the Phenylpiperazine Family RANDOX LABORATORIES LIMITED (GB) 2013-08-29 US claimed
EP-2631231-A1 Assay for the detection of the phenypiperazine family Randox Laboratories Ltd. (GB) 2013-08-28 EP claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 CN disclosed
CN-106928204-B Piperazine derivative, preparation method and application thereof 牡丹江医学院 2020-03-03 CN disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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 (7 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ALDH1A1 1114/4885HSD17B10 4479/4885HPGD 1646/4885
US-20130224882-A1 Assay for the Detection of the Phenylpiperazine Family METAP2, DCPS, NPEPPS ALDH1A1 4387/4885HSD17B10 4343/4885HPGD 1042/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ALDH1A1 1345/4885HSD17B10 345/4885HPGD 775/4885
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT ALDH1A1 360/4885HSD17B10 618/4885HPGD 194/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 ALDH1A1 83/4885HSD17B10 1991/4885HPGD 164/4885
US-10253006-B2 Assay for the detection of the phenylpiperazine family METAP2, DCPS, NPEPPS ALDH1A1 4387/4885HSD17B10 4343/4885HPGD 1042/4885
US-20160229824-A1 ASSAY FOR THE DETECTION OF THE PHENYLPIPERAZINE FAMILY METAP2, DCPS, NPEPPS ALDH1A1 4387/4885HSD17B10 4343/4885HPGD 1042/4885

“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.