SCHEMBL85175

SCHEMBL85175

Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
AKR1C3 P42330 7/20 0.54
HPGD P15428 5/20 0.54
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
NPC1 O15118 3/20 0.48
USP2 O75604 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL85591 0.98 ALDH1A1 (0.57) ALDH1A1AKR1C3HPGDDDB1CRBN
SCHEMBL78465 0.94 ALDH1A1 (0.65) ALDH1A1AKR1C3HPGDDDB1CRBN
SCHEMBL11142367 0.85 ALDH1A1 (0.74) ALDH1A1AKR1C3HPGDNPC1TP53
SCHEMBL11936009 0.83 USP2 (0.49) ALDH1A1HPGDUSP2KDM4EMEN1
SCHEMBL79080 0.83 ALDH1A1 (0.53) ALDH1A1AKR1C3HPGDUSP2MAPT
SCHEMBL1919000 0.82 ALDH1A1 (0.56) ALDH1A1AKR1C3HPGDNPC1USP2
SCHEMBL3666589 0.82 LMNA (0.59) ALDH1A1AKR1C3HPGDNPC1USP2
SCHEMBL2725729 0.82 MAPT (0.59) ALDH1A1AKR1C3HPGDMAPTHTT
SCHEMBL609322 0.82 ALDH1A1 (0.56) ALDH1A1AKR1C3HPGDUSP2TP53
SCHEMBL10112811 0.82 IDO1 (0.57) ALDH1A1AKR1C3HPGDNPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016020711-A1 PROCESS FOR THE PREPARATION OF APIXABAN EGIS GYÓGYSZERGYÁR ZRT. (HU) 2016-02-11 WO claimed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
CN-121045062-A Apixaban intermediate and preparation method and application thereof 山东新时代药业有限公司 2025-12-02 CN disclosed
WO-2024215771-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE (US) 2024-10-17 WO disclosed
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE 2024-10-17 US disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
CN-117720456-A New method for synthesizing apixaban intermediate 3, 3-dichloro-1- (4-substituted phenyl) piperidine-2-ketone 华东理工大学 2024-03-19 CN disclosed
CN-117720456-A New method for synthesizing apixaban intermediate 3, 3-dichloro-1- (4-substituted phenyl) piperidine-2-ketone 华东理工大学 2024-03-19 CN disclosed
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SOUTHERN RESEARCH INSTITUTE (US) 2024-02-20 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002074735-A2 BIURETHANE DERIVATIVES MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 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 (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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 ALDH1A1 4342/4885AKR1C3 3233/4885HPGD 2709/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885AKR1C3 3870/4885HPGD 3586/4885
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES PRNP, PNP, ZC3HAV1 ALDH1A1 1144/4885AKR1C3 2129/4885HPGD 2132/4885
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SARS1, ACE2, TMPRSS2 ALDH1A1 4308/4885AKR1C3 3460/4885HPGD 3682/4885

“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.