SCHEMBL3752132

SCHEMBL3752132

CN(C)C1(CNC(=O)C(F)(F)F)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
THRB P10828 5/20 0.45
TP53 P04637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A5 Q9Y345 1/20 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
SCHEMBL3757012 0.98 LMNA (0.58) LMNAOPRM1OPRD1THRBTP53
SCHEMBL16373746 0.72 LMNA (0.64) LMNAOPRM1OPRD1THRBTP53
Trifluoroacetic Acid SCHEMBL3752134 0.70 LMNA (0.38) LMNAOPRM1OPRD1TP53KDM4E
SCHEMBL25349590 0.70 LMNA (0.51) LMNAOPRM1OPRD1THRBTP53
Trifluoroacetic Acid SCHEMBL3757015 0.69 LMNA (0.41) LMNAOPRM1OPRD1THRBTP53
SCHEMBL5024761 0.69 OPRM1 (0.72) LMNAOPRM1OPRD1THRBTP53
SCHEMBL5015977 0.68 OPRM1 (0.74) LMNAOPRM1OPRD1THRBTP53
SCHEMBL29813951 0.68 SMYD3 (0.36) OPRM1OPRD1KDM4EKMT2A
SCHEMBL15298878 0.68 ALDH1A1 (0.37) OPRM1KMT2A
SCHEMBL18256816 0.66 LMNA (0.47) LMNAOPRM1OPRD1THRBTP53

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
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D LMNA 1334/4885OPRM1 271/4885OPRD1 127/4885

“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.