SCHEMBL2025960

SCHEMBL2025960

CCCN[C@H]1CCc2cccc(OC)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.82
DRD3 P35462 5/20 0.82
DRD4 P21917 2/20 0.82
HTR1D P28221 1/20 0.67
MTNR1A P48039 5/20 0.64
MTNR1B P49286 5/20 0.64
CYP1A2 P05177 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63

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
SCHEMBL2025137 1.00 DRD2 (0.82) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL2025138 1.00 DRD2 (0.82) DRD2DRD3DRD4HTR1DMTNR1A
Hydrochloric Acid SCHEMBL2024400 0.99 DRD2 (0.81) DRD2DRD3DRD4HTR1DMTNR1A
Azetidine SCHEMBL9242768 0.94 DRD2 (0.73) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL8894131 0.92 DRD2 (0.83) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL604798 0.90 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL12072682 0.90 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL7454456 0.90 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL29802351 0.90 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL1938120 0.90 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516383-B1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2017-05-03 EP disclosed
US-8691839-B2 Aminotetraline derivatives GMEINER PETER (DE) 2014-04-08 US disclosed
US-20130331429-A1 AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2013-12-12 US disclosed
US-8586603-B2 Aminotetraline derivatives GMEINER PETER (DE) 2013-11-19 US disclosed
US-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2012-11-01 US disclosed
EP-2516383-A1 NEW AMINOTETRALINE DERIVATIVES Gmeiner, Peter (DE) 2012-10-31 EP disclosed
WO-2011076708-A1 NEW AMINOTETRALINE DERIVATIVES GMEINER PETER (DE) 2011-06-30 WO disclosed
EP-2338873-A1 New aminotetraline derivatives Gmeiner, Peter (DE) 2011-06-29 EP disclosed
WO-1994026703-A1 NEW CENTRALLY ACTING 5-, 6-, 7-, AND 8-SUBSTITUTED SULPHONE ESTERS OF N-MONOSUBSTITUTED 2-AMINOTETRALINS AND RELATED STRUCTURES DAMSMA-BLOEM, Anette, J. (NL) 1994-11-24 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-20120277262-A1 NEW AMINOTETRALINE DERIVATIVES AADAT, ABAT, AANAT DRD2 946/4885DRD3 1150/4885DRD4 1001/4885
US-20130331429-A1 AMINOTETRALINE DERIVATIVES AADAT, ABAT, SLC1A2 DRD2 415/4885DRD3 673/4885DRD4 562/4885

“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.