SCHEMBL17828152

SCHEMBL17828152

CCc1cncc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.41
GRIN2B Q13224 8/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
RXRA P19793 2/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GGPS1 O95749 2/20 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
SCHEMBL25027446 0.86 CHRNB2 (0.44) GRIN1GRIN2BCHRNB2CHRNA4GGPS1
SCHEMBL17828136 0.83 CHRNB2 (0.44) GRIN1GRIN2BCHRNB2CHRNA4PRMT5
SCHEMBL22307597 0.82 CYP11B1 (0.43) GRIN1GRIN2BPRMT5WDR77
SCHEMBL17781361 0.81 GRIN1 (0.47) GRIN1GRIN2BPRMT5WDR77
SCHEMBL17781358 0.81 GRIN1 (0.41) GRIN1GRIN2BPRMT5WDR77GGPS1
SCHEMBL4882706 0.81 CHRNB2 (0.41) GRIN1GRIN2BCHRNB2CHRNA4GGPS1
SCHEMBL22905259 0.81 GRIN1 (0.39) GRIN1GRIN2BPRMT5WDR77
Hydrochloric Acid SCHEMBL22774830 0.80 GRIN1 (0.46) GRIN1GRIN2BPRMT5WDR77
SCHEMBL14993745 0.79 GRIN1 (0.40) GRIN1GRIN2BPRMT5WDR77
SCHEMBL19446198 0.79 CHRNB2 (0.46) GRIN1GRIN2BCHRNB2CHRNA4GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
WO-2022140169-A1 PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-30 WO disclosed
WO-2021236401-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 WO disclosed
WO-2021236405-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 WO disclosed
WO-2020249785-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (2 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 GRIN1 421/4885GRIN2B 892/4885CHRNB2 509/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 GRIN1 1778/4885GRIN2B 1245/4885CHRNB2 3208/4885

“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.