SCHEMBL4845324

SCHEMBL4845324

CC(c1ccc2ccccc2c1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
CCR2 P41597 1/20 0.41
SOS1 Q07889 3/20 0.41
HTR7 P34969 2/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
MCHR1 Q99705 2/20 0.36
CASR P41180 2/20 0.35
ESRRB O95718 1/20 0.35
ESRRG P62508 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL4588833 0.85 PPARG (0.44) HTR2CCCR2SOS1HTR7PPARG
SCHEMBL4589034 0.83 PPARG (0.44) HTR2CCCR2SOS1HTR7PPARG
SCHEMBL9618625 0.82 PPARG (0.45) HTR2CCCR2HTR7PPARGPPARA
SCHEMBL10973444 0.82 PPARG (0.45) HTR2CCCR2SOS1HTR7PPARG
Hydrochloric Acid SCHEMBL10935760 0.82 PPARG (0.44) HTR2CCCR2SOS1HTR7PPARG
Hydrochloric Acid SCHEMBL9423232 0.82 PPARG (0.44) HTR2CCCR2HTR7PPARGPPARA
SCHEMBL9423081 0.82 CCR2 (0.48) HTR2CCCR2SOS1HTR7PPARG
SCHEMBL9370507 0.78 PPARG (0.45) HTR2CHTR7PPARGPPARAMEN1
Hydrochloric Acid SCHEMBL8742191 0.78 PPARG (0.44) HTR2CHTR7PPARGPPARAMEN1
SCHEMBL8507316 0.77 CCR2 (0.39) HTR2CCCR2SOS1HTR7PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381733-B2 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases NEUROSEARCH A/S (DK) 2008-06-03 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-7160899-B2 Adenosine A2A receptor antangonists combined with neurotrophic activity compounds in the treatment of Parkinson's disease NEUROSEARCH A/S (DK) 2007-01-09 US disclosed
US-7151107-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2006-12-19 US disclosed
EP-1453511-B1 TROPANE DERIVATIVES HAVING DOPAMINE REUPTAKE INHIBITOR ACTIVITY FOR THE TREATMENT OF ISCHEMIC DISEASES NEUROSEARCH AS (DK) 2006-11-15 EP 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-20050020621-A1 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases SANIONA A/S (DK) 2005-01-27 US disclosed
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 US disclosed
US-5981754-A TREATMENT OF ANOXIA, ALZHEIMER'S DISEASE, SENILE DEMENTIA, SUBCORTICAL DEMENTIA SUCH AS HUNTINGTON'S CHOREA AND PARKINSON'S DISEASE, DEMENTIA CAUSED BY AIDS, NEUROPATHY SANOFI (FR) 1999-11-09 US disclosed
EP-0458696-B1 Use of 1-(2-naphthylethyl)-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine for the preparation of medicaments for the treatment of cerebral and neuronal diseases SANOFI SA (FR) 1996-01-03 EP disclosed
US-5468753-A Use of xaliproden or salt thereof to treat neurodegenerative disorders SANOFI (FR) 1995-11-21 US disclosed
US-5468753-A Use of xaliproden or salt thereof to treat neurodegenerative disorders SANOFI (FR) 1995-11-21 US disclosed
US-5378709-A ADMINISTERING 1-(2-NAPHTHYLETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TO MAMMALS SANOFI (FR) 1995-01-03 US disclosed
US-5270320-A Use of a 1-(2-naphthylethyl)-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine for the manufacture of a medicament for the treatment of cerebral and neuronal diseases ELF SANOFI (FR) 1993-12-14 US disclosed
US-5270320-A Use of a 1-(2-naphthylethyl)-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine for the manufacture of a medicament for the treatment of cerebral and neuronal diseases ELF SANOFI (FR) 1993-12-14 US disclosed
US-5229389-A Inducing neuronal lesions in experimental animals by injecting vincristine SANOFI (FR) 1993-07-20 US disclosed
EP-0458696-A3 USE OF 1-(2-NAPHTHYLETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE FOR THE PREPARATION OF MEDICAMENTS FOR THE TREATMENT OF CEREBRAL AND NEURONAL DISEASES 1992-03-18 EP disclosed
EP-0458696-A2 Use of 1-(2-naphthylethyl)-4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine for the preparation of medicaments for the treatment of cerebral and neuronal diseases SANOFI (FR) 1991-11-27 EP 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 (4 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-20050020621-A1 Tropane derivatives having dopamine reuptake inhibitor activity for the treatment of ischemic diseases SLC6A2, SLC6A3, SLC18A2 HTR2C 40/4885CCR2 2528/4885SOS1 3001/4885
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B HTR2C 334/4885CCR2 2483/4885SOS1 4670/4885
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF BDNF, KCNH1, GABRA6 HTR2C 383/4885CCR2 2603/4885SOS1 4767/4885
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, ATP6V1B2, KCNJ6 HTR2C 289/4885CCR2 2524/4885SOS1 4751/4885

“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.