SCHEMBL57317

SCHEMBL57317

COC[C@@H]1CCCN1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ CHEK1 O14757 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ CASP3 P42574 1/20 0.32

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
SCHEMBL278415 1.00 CHRM3 (0.41) CHRM3HDAC8HDAC6HDAC1CHEK1
SCHEMBL1106480 1.00 CHRM3 (0.41) CHRM3HDAC8HDAC6HDAC1CHEK1
SCHEMBL16812144 0.94 CHRM3 (0.38) CHRM3HDAC8HDAC6HDAC1CHEK1
SCHEMBL23583700 0.88 CHRM3 (0.32) CHRM3
SCHEMBL25559296 0.88 CHRM3 (0.32) CHRM3
SCHEMBL24176143 0.88 CHRM3 (0.32) CHRM3
SCHEMBL25134816 0.85 HDAC8 (0.36) CHRM3HDAC8HDAC6HDAC1MMP3
SCHEMBL26999877 0.85 HDAC8 (0.33) CHRM3HDAC8HDAC6HDAC1DRD2
SCHEMBL13225843 0.85 HDAC8 (0.33) CHRM3HDAC8HDAC6HDAC1DRD2
SCHEMBL25791821 0.85 HDAC8 (0.33) CHRM3HDAC8HDAC6HDAC1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 — — EP disclosed
EP-3870576-B1 BEZOPYRAZOLE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-01-24 — — EP disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 — — US disclosed
WO-2023215802-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 — — WO disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 — — US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 — — US disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 — — WO disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 — — WO disclosed
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 — — WO disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 — — US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 — — US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 — — US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 — — US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 — — US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 — — US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 — — US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 — — US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 — — US disclosed
WO-2003055489-A1 2,4-DIAMINO-PYRIMIDINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 — — 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 (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-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CHRM3 4229/4885HDAC8 1990/4885HDAC6 1180/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CHRM3 179/4885HDAC8 2872/4885HDAC6 2545/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CHRM3 1073/4885HDAC8 900/4885HDAC6 1011/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CHRM3 4848/4885HDAC8 506/4885HDAC6 264/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 CHRM3 4754/4885HDAC8 16/4885HDAC6 25/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS CHRM3 179/4885HDAC8 2872/4885HDAC6 2545/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 CHRM3 2819/4885HDAC8 3537/4885HDAC6 3538/4885

“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.

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