SCHEMBL3874010

SCHEMBL3874010

O=C(N1CCc2cc(C(F)(F)F)ccc2C1)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.72
ESR1 P03372 5/20 0.72
PHGDH O43175 1/20 0.49
NOTUM Q6P988 1/20 0.49
ABHD6 Q9BV23 3/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
DPP7 Q9UHL4 2/20 0.47
PKM P14618 1/20 0.46
DPP4 P27487 1/20 0.46
ACACB O00763 1/20 0.45
NAMPT P43490 1/20 0.43

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
SCHEMBL29963966 1.00 ESR2 (0.72) ESR2ESR1PHGDHNOTUMABHD6
SCHEMBL3865684 0.94 ESR1 (0.72) ESR2ESR1PHGDHNOTUMABHD6
SCHEMBL27176737 0.91 ESR1 (0.58) ESR2ESR1PHGDHNOTUMABHD6
SCHEMBL7641635 0.89 ESR2 (0.68) ESR2ESR1PHGDHNOTUMABHD6
SCHEMBL2930510 0.87 ESR2 (0.54) ESR2ESR1PHGDHNOTUMABHD6
SCHEMBL16759871 0.85 ESR2 (0.53) ESR2ESR1PHGDHNOTUMABHD6
SCHEMBL8176145 0.84 ESR2 (1.00) ESR2ESR1ABHD6HDAC6HDAC8
SCHEMBL14101113 0.83 ESR1 (0.68) ESR2ESR1ABHD6HDAC6HDAC8
SCHEMBL18701688 0.83 ESR1 (0.57) ESR2ESR1NOTUMHDAC6HDAC8
SCHEMBL25206226 0.82 ESR2 (0.76) ESR2ESR1ABHD6HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112094229-B Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2022-11-22 CN claimed
CN-112094229-A Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2020-12-18 CN claimed
CN-112094229-B Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2022-11-22 CN disclosed
CN-112094229-A Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2020-12-18 CN disclosed
WO-2019044940-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-03-07 WO disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1844045-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 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 (1 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-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 ESR2 1325/4885ESR1 864/4885PHGDH 1361/4885

“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.