SCHEMBL7012

SCHEMBL7012

CC(=O)NC1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.67
POLB P06746 1/20 0.59
ATM Q13315 1/20 0.52
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMYD3 Q9H7B4 5/20 0.47
EPHX2 P34913 1/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
Hydrochloric Acid SCHEMBL27873710 0.98 EPHX1 (0.64) EPHX1POLBATMGNAI3GNAO1
Hydrochloric Acid SCHEMBL1523932 0.98 EPHX1 (0.64) EPHX1POLBATMGNAI3GNAO1
Acetic Acid SCHEMBL5092074 0.96 EPHX1 (0.61) EPHX1POLBATMGNAI3GNAO1
SCHEMBL12789535 0.92 EPHX1 (0.60) EPHX1POLBATMGNAI3GNAO1
SCHEMBL11207346 0.90 EPHX1 (0.55) EPHX1POLBATMGNAI3GNAO1
SCHEMBL8971891 0.88 EPHX1 (0.53) EPHX1POLBATMGNAI3GNAO1
Trifluoroacetic Acid SCHEMBL28212560 0.87 EPHX1 (0.52) EPHX1POLBATMGNAI3GNAO1
SCHEMBL39850 0.86
SCHEMBL39851 0.86
SCHEMBL39918 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332940-B 7-Deazapurine derivative and preparation method and application thereof 广西民族大学 2024-09-13 CN claimed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US claimed
CN-116332940-A 7-deazapurine derivative and preparation method and application thereof 广西民族大学 2023-06-27 CN claimed
US-10246442-B2 4-Aminoquinazolin compounds as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US claimed
US-20180148435-A9 4-AMINOQUINAZOLIN COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-31 US claimed
US-20170320859-A1 4-AMINOQUINAZOLIN COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US claimed
US-8796263-B2 4-aminoquinazolin-2-yl-1-pyrrazole-4-carboxylic acid compounds as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US claimed
EP-2603502-B1 4-AMINOQUINAZOLIN-2-YL-1-PYRRAZOLE-4-CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP claimed
EP-2603502-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-06-19 EP claimed
US-20130143871-A1 4-AMINOQUINAZOLIN-2-YL-1-PYRRAZOLE-4-CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-06-06 US claimed
EP-0977740-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR, INC. (US) 2000-02-09 EP claimed
WO-1998046571-A1 METHODS FOR SYNTHESIZING 2-SUBSTITUTED IMIDAZOLES SEPRACOR INC. (US) 1998-10-22 WO claimed
US-5817823-A ALKYLATION OF AN IMIDAZOLE COMPOUND; COUPLING WITH NUCLEOPHILIC COMPOUND SEPRACOR INC. (US) 1998-10-06 US claimed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US claimed
EP-0188805-B1 1,3-DITHIOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 EP claimed
EP-0188805-A1 1,3-Dithiole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-30 EP claimed
EP-0045980-B1 COMPOUNDS USEFUL IN THE PREPARATION OF AMINOPIPERIDINES WITH ANORECTIC PROPERTIES SANOFI S.A. (FR) 1983-10-05 EP claimed
EP-0021973-B1 ANORECTIC AMINO PIPERIDINES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SANOFI S.A. (FR) 1982-12-08 EP claimed
EP-0045980-A1 Compounds useful in the preparation of aminopiperidines with anorectic properties SANOFI S.A. (FR) 1982-02-17 EP claimed
EP-0021973-A2 Anorectic amino piperidines, process for their preparation and medicaments containing them SANOFI S.A. (FR) 1981-01-07 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20170320859-A1 4-AMINOQUINAZOLIN COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 EPHX1 249/4885POLB 383/4885ATM 1883/4885
US-20180148435-A9 4-AMINOQUINAZOLIN COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 EPHX1 249/4885POLB 383/4885ATM 1883/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 EPHX1 1913/4885POLB 3806/4885ATM 1804/4885
US-10246442-B2 4-Aminoquinazolin compounds as prolyl hydroxylase inhibitors P4HA1, EGLN3, EGLN2 EPHX1 249/4885POLB 383/4885ATM 1883/4885
US-20130143871-A1 4-AMINOQUINAZOLIN-2-YL-1-PYRRAZOLE-4-CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 EPHX1 247/4885POLB 683/4885ATM 2403/4885

“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.