SCHEMBL3401668

SCHEMBL3401668

COc1ccccc1N1CCCN(Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
DRD3 P35462 3/20 0.63
CYP2C19 P33261 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR3A P46098 1/20 0.57
HTR6 P50406 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
USP2 O75604 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL3399759 0.93 DRD2 (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL30407688 0.88 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3165674 0.84 DRD2 (0.72) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3402455 0.83 DRD2 (0.62) DRD2DRD3SMN1; SMN2MAPTALDH1A1
SCHEMBL3396137 0.83 ADRA1A (0.54) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL3020451 0.83 DRD2 (0.70) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3174809 0.83 DRD2 (0.70) DRD2DRD3CYP2C19HTR3EHTR3B
Hydrochloric Acid SCHEMBL26690632 0.83 MAPT (0.71) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL3418188 0.82 DRD2 (0.87) DRD2DRD3CYP2C19HTR3EHTR3B
SCHEMBL327835 0.78 DRD2 (1.00) DRD2DRD3CYP2C19HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 DRD2 1/4885DRD3 12/4885CYP2C19 3841/4885

“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.