SCHEMBL4655009

SCHEMBL4655009

CCc1cnc(N(CCC=O)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.37
SLC6A4 P31645 2/20 0.36
TRPM8 Q7Z2W7 4/20 0.35
PRMT6 Q96LA8 1/20 0.35
LSS P48449 1/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CETP P11597 1/20 0.35
APAF1 O14727 1/20 0.34
NR1I2 O75469 1/20 0.34
HSP90AA1 P07900 1/20 0.34
IDE P14735 1/20 0.34

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
SCHEMBL14006357 0.84 PRMT6 (0.47) LMNAMAPTRXRAGRIN1GRIN2B
SCHEMBL4655950 0.82 LMNA (0.39) LMNAMAPTRXRAGRIN1GRIN2B
SCHEMBL4575060 0.81 BCHE (0.43) LMNAMAPTRXRAGRIN1GRIN2B
SCHEMBL4575828 0.78 PPARA (0.47)
SCHEMBL4575101 0.78 FFAR1 (0.41) TRPM8VNN1MEN1KMT2A
SCHEMBL4655981 0.78 RXRA (0.38) LMNAMAPTRXRAGRIN1GRIN2B
SCHEMBL14006355 0.77 CKS1B (0.39) TRPM8LSSVNN1
SCHEMBL4575994 0.76 CETP (0.36) LMNAMAPTRXRAGRIN1GRIN2B
SCHEMBL4575643 0.76 DAGLA (0.40) TRPM8CYP2C9
SCHEMBL4575425 0.76 NR1H2 (0.40) LMNAMAPTRXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996198-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2008-12-03 EP disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 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-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR PPARG, PPARA, PPARD LMNA 1690/4885MAPT 4449/4885RXRA 20/4885

“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.