SCHEMBL4587602

SCHEMBL4587602

O=C(C(c1ccccc1)c1ccccc1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.49
CCR2 P41597 1/20 0.48
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HTR2C P28335 2/20 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
SCHEMBL2930491 0.85 CCR2 (0.51) SOS1CCR2ALDH1A1MEN1KMT2A
SCHEMBL9423081 0.81 CCR2 (0.48) SOS1CCR2ALDH1A1MEN1KMT2A
SCHEMBL1760912 0.81 CCR2 (0.50) SOS1CCR2ALDH1A1MEN1KMT2A
SCHEMBL10738116 0.78 CCR2 (0.52) SOS1CCR2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL187309 0.78 MEN1 (0.50) SOS1CCR2ALDH1A1MEN1KMT2A
SCHEMBL14282249 0.76 ALDH1A1 (0.51) SOS1CCR2ALDH1A1MEN1KMT2A
SCHEMBL4588687 0.76 HTR7 (0.50) SOS1ALDH1A1MEN1KMT2AALOX15
SCHEMBL8742251 0.76 POLB (0.50) SOS1CCR2TSHRPPARGPPARA
SCHEMBL9093164 0.76 GRIN2B (0.49) ALDH1A1MEN1KMT2AALOX15TSHR
SCHEMBL9167916 0.76 SLC6A4 (0.44) SOS1CCR2MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320982-B2 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-β 1 SANOFI-AVENTIS (FR) 2008-01-22 US disclosed
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2004-08-12 US disclosed
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6693118-B2 E.G., 1-(2-(6,7-METHYLENEDIOXYNAPHTH-2-YL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE AND 1-2-(4-CYCLOHEXENYLPHENYL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6 -TETRAHYDROPYRIDINE; apoptosis inhibition; treatment of graft rejection or of acute or chronic rheumatoid arthritis SANOFI-SYNTHELABO (FR) 2004-02-17 US disclosed
EP-1017385-B1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI SYNTHELABO (FR) 2003-07-16 EP disclosed
US-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2002-07-11 US disclosed
EP-0950049-B1 DIPHENYL ALKYL-TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2001-10-17 EP disclosed
US-6124318-A Diphenylalkyl-tetrahydropyridines, process for their preparation, and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2000-09-26 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 (2 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-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 SOS1 1395/4885CCR2 441/4885ALDH1A1 415/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 SOS1 1173/4885CCR2 472/4885ALDH1A1 410/4885

“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.