SCHEMBL3652002

SCHEMBL3652002

CCOC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 4/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL26117512 0.87 MAPT (0.42) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL368178 0.86 PPM1B (0.39) MAPTPPM1BPTPN1PPP1CC
SCHEMBL1700418 0.85 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1PPM1BPTPN1
SCHEMBL1147987 0.85 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1PPM1BPTPN1
SCHEMBL25241823 0.81 FKBP1A (0.35)
SCHEMBL15768338 0.81 LMNA (0.43) MEN1KMT2AALDH1A1TSHRCYP2C9
SCHEMBL1148059 0.81 LMNA (0.43) MEN1KMT2AALDH1A1TSHRCYP2C9
SCHEMBL12549970 0.80 MAPT (0.43) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL516752 0.80 MAPT (0.43) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL5009369 0.80 MAPT (0.43) MEN1KMT2AMAPTALDH1A1PPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2190840-A2 CHEMICAL COMPOUNDS 979 AstraZeneca AB (SE) 2010-06-02 EP disclosed
WO-2009024821-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 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 (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 MEN1 3137/4885KMT2A 567/4885MAPT 1582/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT MEN1 3137/4885KMT2A 567/4885MAPT 1582/4885
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT MEN1 3137/4885KMT2A 567/4885MAPT 1582/4885

“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.