SCHEMBL16452775

SCHEMBL16452775

FC(F)(F)c1ccc(C2CCCC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PDE9A O76083 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ GABBR2 O75899 1/20 0.37
▸ GABBR1 Q9UBS5 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
SCHEMBL25647216 0.98 PPARD (0.42) PPARDALOX5APFEN1KMT2AKDM4E
SCHEMBL28131310 0.96 ALOX5AP (0.43) PPARDALOX5APFEN1KMT2AKDM4E
SCHEMBL16452781 0.92 KMT2A (0.42) KMT2AKDM4EABL1LMNAPDE9A
SCHEMBL29852305 0.92 KMT2A (0.42) KMT2AKDM4EABL1LMNAPDE9A
SCHEMBL30851289 0.84 HTR2C (0.57) KMT2AHTR2C
SCHEMBL13197446 0.84 LIPE (0.41) KMT2AKDM4EABL1LMNAPDE9A
SCHEMBL13197445 0.84 LIPE (0.41) KMT2AKDM4EABL1LMNAPDE9A
SCHEMBL5471696 0.84 HTR2C (0.57) KMT2AHTR2C
SCHEMBL25228664 0.83 DDB1 (0.43) KMT2AKDM4EABL1LMNAPDE9A
SCHEMBL31140846 0.83 DDB1 (0.43) KMT2AKDM4EABL1LMNAPDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 — — EP disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 — — US disclosed
WO-2015020112-A1 DIFLUOROMETHYLENE COMPOUND 石原産業株式会社 (JP) 2015-02-12 — — 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 (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-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC PPARD 1/4885ALOX5AP 547/4885FEN1 2378/4885

“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.

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