SCHEMBL6356040

SCHEMBL6356040

CCCNC1Cc2cccc3ncn(c23)C1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.70
DRD3 P35462 11/20 0.70
HTR1A P08908 5/20 0.59
DRD4 P21917 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
HTR1D P28221 1/20 0.37

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
SCHEMBL6483129 0.82 DRD2 (1.00) DRD2DRD3HTR1ADRD4SIGMAR1
SCHEMBL6352686 0.74 HTR1A (1.00) DRD2DRD3HTR1A
SCHEMBL7344010 0.74 DRD2 (0.65) DRD2DRD3HTR1A
Fumaric Acid SCHEMBL2965270 0.73 DRD2 (0.79) DRD2DRD3HTR1A
SCHEMBL7376178 0.72 DRD2 (0.62) DRD2DRD3HTR1A
SCHEMBL3222580 0.71 DRD2 (1.00) DRD2DRD3HTR1ADRD4
SCHEMBL7343813 0.71 DRD2 (1.00) DRD2DRD3HTR1ADRD4
Hydrochloric Acid SCHEMBL7343645 0.71 DRD2 (0.61) DRD2DRD3HTR1A
SCHEMBL1792787 0.69 GRIN2B (0.61) DRD2DRD3HTR1ADRD4SIGMAR1
SCHEMBL7348495 0.68 DRD2 (0.58) DRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250803-A1 Combination of dopamine agonists and monoamine reuptake inhibitors PFIZER INC 2005-11-10 US claimed
WO-2005051488-A1 COMBINATION OF DOPAMINE AGONISTS AND MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2005-06-09 WO claimed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP claimed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US claimed
US-20050250803-A1 Combination of dopamine agonists and monoamine reuptake inhibitors PFIZER INC 2005-11-10 US disclosed
WO-2005051488-A1 COMBINATION OF DOPAMINE AGONISTS AND MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2005-06-09 WO disclosed
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 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 (1 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-20050250803-A1 Combination of dopamine agonists and monoamine reuptake inhibitors HTR5A, SLC6A3, SLC6A4 DRD2 37/4885DRD3 118/4885HTR1A 5/4885

“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.