SCHEMBL728503

SCHEMBL728503

O=C1CCCc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KMT2A Q03164 2/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
PAX8 Q06710 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
CDC25B P30305 3/20 0.38
PTPRC P08575 2/20 0.38
S100A4 P26447 2/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL29412464 1.00 CYP2A6 (0.48) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL2171651 0.96 CYP2A6 (0.44) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL8118609 0.89 MAOA (0.46) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL29439737 0.88 TDP2 (0.45) KMT2ATDP2NSD2ABL1PLCG1
SCHEMBL2456241 0.88 TDP2 (0.45) KMT2ATDP2NSD2ABL1PLCG1
SCHEMBL4912110 0.85 TSHR (0.43) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL829095 0.80 TDP2 (0.52) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL13813397 0.76 HRH1 (0.37) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL13857918 0.76 HRH1 (0.37) CYP2A6MAOAMAOBKMT2ATDP2
SCHEMBL4069326 0.76 HRH1 (0.37) CYP2A6MAOAMAOBKMT2ATDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025107466-A1 METHOD FOR PREPARING CHIRAL CYCLIC AMINE BY ASYMMETRIC HYDROGENATION, CATALYST USED THEREIN, AND CATALYST PREPARATION METHOD 河北师范大学 2025-05-30 WO claimed
CN-117567523-A Method for preparing chiral cyclic amine by asymmetric hydrogenation, catalyst used by method and catalyst preparation method 河北师范大学 2024-02-20 CN claimed
CN-116925154-A Dibenzocycloheptyl group-containing pyrido ring metal complex and application thereof in olefin polymerization 北京服装学院 2023-10-24 CN claimed
CN-110698513-B Preparation of trihydroquinoline amine metal compound and application of trihydroquinoline amine metal compound in high-temperature solution polymerization of olefin 青岛科技大学 2022-06-17 CN claimed
CN-112409357-B Novel functional nitrogen heterocyclic compound and preparation method and application thereof 广东省测试分析研究所(中国广州分析测试中心) 2022-01-18 CN claimed
CN-112409357-A Novel functional nitrogen heterocyclic compound and preparation method and application thereof 广东省测试分析研究所(中国广州分析测试中心) 2021-02-26 CN claimed
CN-110698513-A Preparation of trihydroquinoline amine metal compound and application of trihydroquinoline amine metal compound in high-temperature solution polymerization of olefin 青岛科技大学 2020-01-17 CN claimed
CN-103833561-B The N-arylation method of alkane amine HENGYANG NORMAL UNIVERSITY (CN) 2016-01-13 CN claimed
CN-103833561-A Method for N-arylation of alkane amine UNIV HENGYANG NORMAL 2014-06-04 CN claimed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-12583858-B2 TDO2 inhibitors GENENTECH, INC. (US) 2026-03-24 US disclosed
US-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS TREELINE BIOSCIENCES INC (US) 2026-01-22 US disclosed
EP-4163277-B1 NOVEL PYRAZOLE DERIVATIVES APTABIO THERAPEUTICS INC (KR) 2026-01-14 EP disclosed
US-20250388601-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2025-12-25 US disclosed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO disclosed
US-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 US disclosed
CN-1143364-A 5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof YAMANOUCHI PHARMA CO LTD (JP) 1997-02-19 CN disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO disclosed
US-5304554-A Intercalators of DNA, inhibit replication of retroviruses EMORY UNIVERSITY (US) 1994-04-19 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-12583858-B2 TDO2 inhibitors TDO2, IDO2, TPH2 CYP2A6 136/4885MAOA 18/4885MAOB 26/4885
US-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS KRAS, NRAS, G3BP2 CYP2A6 320/4885MAOA 4501/4885MAOB 3147/4885
US-20250388601-A1 Compounds, Compositions and Methods AURKC, WEE2, ERBB2 CYP2A6 245/4885MAOA 2277/4885MAOB 1268/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG CYP2A6 4230/4885MAOA 4530/4885MAOB 4372/4885

“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.