SCHEMBL4587598

SCHEMBL4587598

O=C(CN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.56
DRD2 P14416 1/20 0.50
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ABCB11 O95342 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
EBP Q15125 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL4589780 0.99 SIGMAR1 (0.55) SIGMAR1DRD2HTR7HTR1APPARG
SCHEMBL4589148 0.95 SIGMAR1 (0.48) SIGMAR1DRD2HTR7PPARGPPARA
SCHEMBL4588826 0.94 SIGMAR1 (0.47) SIGMAR1DRD2HTR7PPARGPPARA
Hydrochloric Acid SCHEMBL4588524 0.94 SIGMAR1 (0.47) SIGMAR1DRD2HTR7PPARGPPARA
SCHEMBL4587710 0.94 SIGMAR1 (0.52) SIGMAR1HTR7HTR1APPARGPPARA
Hydrochloric Acid SCHEMBL4588328 0.93 SIGMAR1 (0.51) SIGMAR1HTR7HTR1APPARGPPARA
Hydrochloric Acid SCHEMBL4589225 0.93 SIGMAR1 (0.47) SIGMAR1DRD2HTR7PPARGPPARA
SCHEMBL4587147 0.91 SIGMAR1 (0.55) SIGMAR1DRD2HTR7HTR1APPARG
Hydrochloric Acid SCHEMBL5354134 0.90 SIGMAR1 (0.54) SIGMAR1DRD2HTR7HTR1APPARG
SCHEMBL4589731 0.89 SIGMAR1 (0.48) SIGMAR1DRD2HTR7PPARGPPARA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936621-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-08-30 US claimed
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 US claimed
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 EP claimed
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines BARONI MARCO (IT) 2002-05-16 US claimed
US-6344464-B1 Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination SANOFI-SYNTHELABO (FR) 2002-02-05 US claimed
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-7297799-B2 Preparation of benzoylalkyl-1,2,3,6-tetrahydropyridines and use thereof SANOFI-AVENTIS (FR) 2007-11-20 US disclosed
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF SANOFI-AVENTIS (FR) 2007-03-08 US disclosed
US-7151107-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2006-12-19 US disclosed
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-10-06 US disclosed
US-6936621-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-08-30 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
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines BARONI MARCO (IT) 2002-05-16 US disclosed
US-6358965-B1 THERAPY AND/OR PROPHYLAXIS OF DISEASES WHICH INVOLVE NEURONAL DEGENERATION BY ADMINISTERING BENZOYL-1,2,3,6-TETRAHYDROPYRIDINES COMPOUND SANOFI-SYNTHELABO (FR) 2002-03-19 US disclosed
US-6344464-B1 Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination SANOFI-SYNTHELABO (FR) 2002-02-05 US disclosed
US-6342505-B1 inhibiting apoptosis using xaliproden hydrochloride, or other tetrahydropyridine derivatives SANOFI-SYNTHELABO (FR) 2002-01-29 US disclosed
EP-0979079-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 2000-02-16 EP disclosed
EP-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1999-10-20 EP disclosed
WO-1998048802-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 1998-11-05 WO disclosed
WO-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 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 (5 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-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B SIGMAR1 481/4885DRD2 554/4885HTR7 434/4885
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B SIGMAR1 481/4885DRD2 554/4885HTR7 434/4885
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF BDNF, KCNH1, GABRA6 SIGMAR1 695/4885DRD2 576/4885HTR7 328/4885
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, ATP6V1B2, KCNJ6 SIGMAR1 491/4885DRD2 446/4885HTR7 282/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 SIGMAR1 1601/4885DRD2 2854/4885HTR7 2293/4885

“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.