SCHEMBL1969442

SCHEMBL1969442

Cc1ncc(C(=O)O)c(-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
DHODH Q02127 5/20 0.40
HSD11B1 P28845 1/20 0.40
GABRA5 P31644 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1971175 0.87 SMN1; SMN2 (0.49) NTRK1LMNAMAPTKMT2AKDM4E
SCHEMBL400143 0.85 NTRK1 (0.60) NTRK1LMNAMAPTMEN1CYP1A2
SCHEMBL6488782 0.84 NPC1 (0.49) NTRK1LMNAMAPTMEN1CYP1A2
SCHEMBL6491306 0.84 PTPN1 (0.46) NTRK1DHODH
SCHEMBL1971235 0.82 KMO (0.47) NTRK1DHODH
SCHEMBL6016291 0.81 RXFP1 (0.62) NTRK1MAPTRXFP1
SCHEMBL1968963 0.80 MCL1 (0.50) NTRK1LMNAMAPTMEN1KMT2A
SCHEMBL6016317 0.80 PDE4B (0.44) LMNAMAPTMEN1CYP1A2CYP2C9
SCHEMBL1967078 0.78 KMO (0.53) LMNAKDM4EHCRTR1HCRTR2DHODH
SCHEMBL27742310 0.77 PTGS2 (0.52) MAPTKMT2ARXFP1DHODHSMN1; SMN2

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
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 NTRK1 739/4885LMNA 2416/4885MAPT 1419/4885

“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.