SCHEMBL6660003

SCHEMBL6660003

CCC1CC(=O)N(Cc2ccc(NC(=O)c3ccco3)cc2)N=C1c1ccc(OC(F)(F)F)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 5/20 0.42
HPGD P15428 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 2/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL6660572 0.97 TSHR (0.47) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6662496 0.93 TSHR (0.53) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6656667 0.91 TSHR (0.48) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6657183 0.90 SMN1; SMN2 (0.50) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6661359 0.90 TSHR (0.47) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6841918 0.90 PDE4D (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL6660982 0.90 TSHR (0.47) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6655149 0.89 TSHR (0.48) TSHRNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL6677873 0.89 PDE4D (0.41) MAPK1KMT2AMEN1PDE4APDE4B
SCHEMBL6658006 0.89 SMN1; SMN2 (0.50) TSHRNPSR1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B TSHR 3270/4885NPSR1 3604/4885CYP1A2 1911/4885

“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.