SCHEMBL10477609

SCHEMBL10477609

CCOC(=O)C1(F)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KCNH2 Q12809 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
HRH2 P25021 1/20 0.37

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
SCHEMBL10477634 0.98 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3181237 0.94 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL16058884 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL31277004 0.83 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL23883448 0.80 POLB (0.35) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL407780 0.80 OPRM1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL440141 0.79 OPRM1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL12049755 0.79 OPRM1 (0.53) KCNH2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL23411132 0.79 OPRM1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL16549502 0.79 OPRM1 (0.53) CYP3A4KCNH2CYP2D6CYP2C9OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041316-B Isoxazole O-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2024-11-22 CN disclosed
CN-107074859-B Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer 默克专利有限公司 2021-08-06 CN disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
CN-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
EP-3189054-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2017-07-12 EP disclosed
CN-105517574-A Combinations of hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
WO-2016037026-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-03-10 WO disclosed
WO-2016037026-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-03-10 WO disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
US-4808734-A 16-cycloalkyl-7-fluoro-prostacyclins HOFFMANN-LA ROCHE INC. (US) 1989-02-28 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 (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-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 3188/4885ALDH1A1 935/4885CYP3A4 853/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT SMN1; SMN2 3188/4885ALDH1A1 935/4885CYP3A4 853/4885
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 3188/4885ALDH1A1 935/4885CYP3A4 853/4885

“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.