SCHEMBL58010

SCHEMBL58010

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL463540 1.00 CHRM3 (0.35) CHRM3L3MBTL1KMT2AHTTAR
SCHEMBL11997996 1.00 CHRM3 (0.35) CHRM3L3MBTL1KMT2AHTTAR
SCHEMBL13452774 0.93 KMT2A (0.39) CHRM3KMT2AHTT
SCHEMBL12572936 0.93 KMT2A (0.39) CHRM3KMT2AHTT
SCHEMBL20093387 0.93 KMT2A (0.39) CHRM3KMT2AHTT
SCHEMBL23371066 0.91 KMT2A (0.41) CHRM3KMT2AHTT
SCHEMBL21398646 0.91 KMT2A (0.41) CHRM3KMT2AHTT
SCHEMBL15786185 0.91 KMT2A (0.41) CHRM3KMT2AHTT
SCHEMBL17835201 0.86
SCHEMBL18269015 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037340-B2 Pentacyclic derivatives as Zika virus inhibitors GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors GILEAD SCIENCES, INC. (US) 2023-08-29 US disclosed
US-20220411434-A1 PENTACYCLIC DERIVATIVES AS ZIKA VIRUS INHIBITORS GILEAD SCIENCES, INC. 2022-12-29 US disclosed
US-20220117952-A1 METHODS FOR TREATING HEPATITIS B VIRUS INFECTIONS USING NS5A, NS5B OR NS3 INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
WO-2021043322-A1 AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-03-11 WO disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 US disclosed
US-20110077381-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2011-03-31 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7528152-B2 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) 2009-05-05 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 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-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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 (15 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 CHRM3 11/4885L3MBTL1 4240/4885KMT2A 2435/4885
US-20110077381-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 CHRM3 258/4885L3MBTL1 1383/4885KMT2A 3704/4885
US-20220411434-A1 PENTACYCLIC DERIVATIVES AS ZIKA VIRUS INHIBITORS ZC3HAV1, ZC3HAV1L, EIF2AK2 CHRM3 4803/4885L3MBTL1 3650/4885KMT2A 3175/4885
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CHRM3 2462/4885L3MBTL1 3423/4885KMT2A 3692/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS CHRM3 179/4885L3MBTL1 4285/4885KMT2A 4371/4885
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors HAVCR2, EIF2AK2, HSP90B1 CHRM3 4876/4885L3MBTL1 2154/4885KMT2A 2756/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS CHRM3 2204/4885L3MBTL1 4018/4885KMT2A 3297/4885
US-20220117952-A1 METHODS FOR TREATING HEPATITIS B VIRUS INFECTIONS USING NS5A, NS5B OR NS3 INHIBITORS HAVCR2, EIF2AK2, HPN CHRM3 4864/4885L3MBTL1 2243/4885KMT2A 2881/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS CHRM3 179/4885L3MBTL1 4285/4885KMT2A 4371/4885
US-12037340-B2 Pentacyclic derivatives as Zika virus inhibitors ZC3HAV1, ZC3HAV1L, GDI1 CHRM3 4758/4885L3MBTL1 3889/4885KMT2A 3406/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS CHRM3 4032/4885L3MBTL1 3099/4885KMT2A 2868/4885
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 2819/4885L3MBTL1 3035/4885KMT2A 3889/4885
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CHRM3 2119/4885L3MBTL1 4790/4885KMT2A 1825/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID CHRM3 1654/4885L3MBTL1 1883/4885KMT2A 4757/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS CHRM3 4032/4885L3MBTL1 3099/4885KMT2A 2868/4885

“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.