SCHEMBL5271968

SCHEMBL5271968

NC(=O)C1(Cc2cc(C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
P2RX7 Q99572 2/20 0.40
TRAP1 Q12931 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
TP53 P04637 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL30591389 0.76 ALDH1A1 (0.48) FFAR4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2636015 0.74 HSD11B1 (0.40) HSD11B1CYP3A4P2RX7MEN1KMT2A
SCHEMBL5075664 0.74 EPHX1 (0.52) HSD11B1MEN1KMT2AATM
SCHEMBL2467122 0.74 RAB9A (0.47) HSD11B1ALDH1A1MEN1KMT2AHTT
SCHEMBL5275909 0.73 HSD11B1 (0.43) HSD11B1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3093697 0.73 SLC6A4 (0.44) HSD11B1SLC6A2SLC6A4TSHRHDAC8
SCHEMBL3092901 0.73 HSD11B1 (0.39) HSD11B1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3918589 0.72 IDO1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL30201250 0.71 ALDH1A1 (0.52) FFAR4ALDH1A1CYP1A2CYP2C19P2RX7
SCHEMBL1775542 0.71 ALDH1A1 (0.52) FFAR4ALDH1A1CYP1A2CYP2C19P2RX7

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
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US claimed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP claimed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP disclosed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US disclosed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 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-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives REN, ACE, ACE2 HSD11B1 898/4885FFAR4 2527/4885ALDH1A1 913/4885

“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.