SCHEMBL6985542

SCHEMBL6985542

CC(=O)C(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
CHKA P35790 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
SIGMAR1 Q99720 1/20 0.41
HSD11B1 P28845 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EPHX2 P34913 1/20 0.36
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL9396214 0.84 CA2 (0.59) CA2CA12CA1CA9CHKA
SCHEMBL479371 0.81 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL3821587 0.79 CA2 (0.54) CA2CA12CA1CA9CHKA
SCHEMBL603099 0.79
SCHEMBL5433 0.79
SCHEMBL9286350 0.77 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL4073463 0.77 CA2 (0.70) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL2855578 0.77 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL15689312 0.77 CA2 (0.52) CA2CA12CA1CA9CHKA
Potassium SCHEMBL30601762 0.77 CA2 (0.52) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
CN-109553641-B Novel pincer-like metal complex and application thereof 中国科学院上海有机化学研究所 2023-05-12 CN disclosed
US-11040956-B2 Synthesis of omecamtiv mecarbil AMGEN INC. (US) 2021-06-22 US disclosed
US-20200308143-A1 SYNTHESIS OF OMECAMTIV MECARBIL AMGEN INC. 2020-10-01 US disclosed
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 EP disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 US disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 US disclosed
EP-2799435-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) 2014-11-05 EP disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 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 (3 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-20200308143-A1 SYNTHESIS OF OMECAMTIV MECARBIL SI, DPYD, MTHFD2 CA2 1878/4885CA12 416/4885CA1 410/4885
US-11040956-B2 Synthesis of omecamtiv mecarbil SI, DPYD, MTHFD2 CA2 1878/4885CA12 416/4885CA1 410/4885
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 CA2 3658/4885CA12 3892/4885CA1 3263/4885

“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.