SCHEMBL5646115

SCHEMBL5646115

CC(C)CNC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.47
GNAO1 P09471 4/20 0.47
GNAI1 P63096 4/20 0.47
KCNH2 Q12809 1/20 0.45
SOS1 Q07889 1/20 0.42
EPHX1 P07099 4/20 0.38
DPP7 Q9UHL4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SLC6A3 Q01959 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL5760111 0.86 KCNH2 (0.63) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL5762648 0.86 KCNH2 (0.63) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL17149316 0.86 KCNH2 (0.63) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL29341540 0.86 GNAI3 (0.41) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL20842216 0.85 GNAI3 (0.43) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL16553910 0.83 GNAI3 (0.46) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL4919308 0.82
SCHEMBL11133425 0.81 GNAI3 (0.41) GNAI3GNAO1GNAI1KCNH2SOS1
SCHEMBL6960762 0.80 SOS1 (0.54) GNAI3GNAO1GNAI1KCNH2SOS1
Hydrochloric Acid SCHEMBL2656164 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 US disclosed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
WO-2020061375-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
WO-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed
WO-2019013790-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed
CN-108707139-A Amino-metadiazine compound and its preparation method and application 北京浦润奥生物科技有限责任公司 2018-10-26 CN disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC GNAI3 2134/4885GNAO1 2260/4885GNAI1 1743/4885
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL GNAI3 1673/4885GNAO1 2414/4885GNAI1 1744/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL GNAI3 1869/4885GNAO1 2297/4885GNAI1 1976/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC GNAI3 1703/4885GNAO1 1622/4885GNAI1 1738/4885

“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.