SCHEMBL4589098

SCHEMBL4589098

CCc1ccc(CCBr)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
DHFR P00374 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SKP2 Q13309 1/20 0.33
BCHE P06276 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2118677 0.82 DHFR (0.42) BACE1DHFRGABRA1GABRB2BCHE
SCHEMBL9734907 0.82 CNR1 (0.48) BACE1DHFRCNR1CNR2GPR84
SCHEMBL31174278 0.82 BACE1 (0.68) BACE1GABRA1GABRB2CNR1CNR2
SCHEMBL7460854 0.81 CNR1 (0.39) BACE1TDP1MEN1KMT2AGABRA1
SCHEMBL10799332 0.79 TDP1 (0.44) BACE1TDP1MEN1KMT2A
SCHEMBL444673 0.79 TRPA1 (0.48) BACE1DHFRAKT1TAAR1
SCHEMBL3847706 0.78 BACE1 (0.69) BACE1DHFRTDP1TAAR1CYP3A4
SCHEMBL12441747 0.78 BACE1 (0.44) BACE1DHFRAKT1CNR1CNR2
SCHEMBL10193342 0.78 BACE1 (0.44) BACE1DHFRAKT1GABRA1GABRB2
SCHEMBL9734644 0.78 SKP2 (0.50) BACE1SKP2GPR84THRATHRB

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 14 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
CN-1708492-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN 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-0950048-B1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI SYNTHELABO (FR) 2001-06-27 EP disclosed
EP-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP 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-0950048-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO 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-1998025903-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI (FR) 1998-06-18 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 (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 BACE1 90/4885DHFR 734/4885TDP1 1421/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 BACE1 134/4885DHFR 663/4885TDP1 1461/4885

“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.