SCHEMBL6890187

SCHEMBL6890187

CCCN1CCCC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
SLC6A4 P31645 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 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
SCHEMBL14131261 0.88 S1PR1 (0.41) OPRM1HRH3SLC6A4
SCHEMBL6890281 0.87 S1PR4 (0.35) OPRM1HRH3SLC6A4DRD2
SCHEMBL21377153 0.83 HRH3 (0.41) HRH3DRD2DRD1DRD4DRD5
SCHEMBL684397 0.83 TSHR (0.36) OPRM1HRH3SLC6A4
SCHEMBL13564382 0.82 ADORA2A (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27010197 0.81
SCHEMBL11991400 0.80 HRH3 (0.34) OPRM1HRH3SLC6A4
SCHEMBL737952 0.79 HRH3 (0.33) OPRM1HRH3SLC6A4
SCHEMBL15808617 0.79 ALOX15 (0.42) OPRM1HRH3SLC6A4
SCHEMBL19948483 0.79 KDM4E (0.33) OPRM1HRH3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015851-A1 TREATMENT OF CELL PROLIFERATION-ASSOCIATED CONDITIONS USING A COMBINATION OF A CLB-B INHIBITOR AND AN ADDITIONAL THERAPEUTIC AGENT HOTSPOT THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3510024-B1 PYRIDYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 US disclosed
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 US disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP OPRM1 172/4885HRH3 1113/4885SLC6A4 3605/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS OPRM1 4750/4885HRH3 3146/4885SLC6A4 4807/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 OPRM1 2319/4885HRH3 176/4885SLC6A4 762/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS OPRM1 4750/4885HRH3 3146/4885SLC6A4 4807/4885

“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.