SCHEMBL5096472

SCHEMBL5096472

CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 1.00
SLC6A3 Q01959 5/20 1.00
DRD2 P14416 3/20 0.89
MEN1 O00255 2/20 0.89
MAPT P10636 2/20 0.89
KMT2A Q03164 2/20 0.89
CYP1A2 P05177 2/20 0.89
CYP2D6 P10635 2/20 0.89
TSHR P16473 2/20 0.89
TP53 P04637 1/20 0.89
CYP3A4 P08684 1/20 0.89
NFKB1 P19838 1/20 0.89
THPO P40225 1/20 0.89
DRD4 P21917 1/20 0.89
HTT P42858 1/20 0.89
GMNN O75496 1/20 0.86
LMNA P02545 1/20 0.86
PMP22 Q01453 1/20 0.86
SMN1; SMN2 Q16637 1/20 0.86
NPSR1 Q6W5P4 1/20 0.86

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
SCHEMBL1152029 1.00 DRD3 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Clobenztropine SCHEMBL1152891 0.94 DRD3 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Clobenztropine SCHEMBL137213 0.94 DRD3 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Clobenztropine SCHEMBL1152321 0.94 DRD3 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Clobenztropine SCHEMBL6678407 0.93 MEN1 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Clobenztropine SCHEMBL6675824 0.93 MEN1 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Clobenztropine SCHEMBL466951 0.93 MEN1 (1.00) DRD3SLC6A3DRD2MEN1MAPT
Difluorobenztropine SCHEMBL23675084 0.84 SLC6A3 (1.00) DRD3SLC6A3DRD2CYP1A2CYP2D6
Difluorobenztropine SCHEMBL2615300 0.84 SLC6A3 (1.00) DRD3SLC6A3DRD2CYP1A2CYP2D6
Difluorobenztropine SCHEMBL6478352 0.84 SLC6A3 (1.00) DRD3SLC6A3DRD2CYP1A2CYP2D6

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-20130202529-A1 BENZTROPINE COMPOUNDS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2013-08-08 US disclosed
US-8383817-B2 S-(+)-2 beta -hydroxymethyl-3 alpha -[bis(4-fluorophenyl)methoxy]tropane; treating mental disorders; reducing food intake; detecting the binding of the compound to the central nervous system tissue to monitor Parkinson's THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-02-26 US disclosed
US-20080226559-A1 Benztropine Compounds and Uses Thereof GOVERNMENT OF THE USA,REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-18 US disclosed
EP-1919476-A2 BENZTROPINE COMPOUNDS AND USES THEREOF AS DOPAMINE UPTAKE INHIBITORS Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2008-05-14 EP disclosed
WO-2007025055-A2 BENZTROPINE COMPOUNDS AND USES THEREOF AS DOPAMINE UPTAKE INHIBITORS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-01 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-20130202529-A1 BENZTROPINE COMPOUNDS AND USES THEREOF OPRM1, MC2R, CNR1 DRD3 16/4885SLC6A3 64/4885DRD2 32/4885
US-20080226559-A1 Benztropine Compounds and Uses Thereof OPRM1, MC2R, OPRD1 DRD3 20/4885SLC6A3 59/4885DRD2 29/4885

“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.