SCHEMBL4820352

SCHEMBL4820352

N#Cc1ccccc1N1CCN(Cc2csc3ccc(Cl)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
DRD4 P21917 7/20 0.55
DRD2 P14416 6/20 0.55
DRD3 P35462 6/20 0.55
CYP2A6 P11509 3/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
CHRNA7 P36544 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL4816567 0.84 SMN1; SMN2 (0.61) SMN1; SMN2DRD4DRD2DRD3CYP2A6
SCHEMBL4822250 0.77 SMN1; SMN2 (0.64) SMN1; SMN2DRD4DRD2DRD3CYP2A6
SCHEMBL4820744 0.77 SMN1; SMN2 (0.60) SMN1; SMN2DRD4DRD2DRD3MAPT
SCHEMBL4814753 0.76 SMN1; SMN2 (0.59) SMN1; SMN2DRD4DRD2DRD3CYP2A6
SCHEMBL1086225 0.74 SMN1; SMN2 (0.46) SMN1; SMN2DRD4DRD2DRD3CYP2A6
SCHEMBL13242424 0.73 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKDM4E
SCHEMBL4821941 0.73 SMN1; SMN2 (0.58) SMN1; SMN2DRD4DRD2DRD3CYP2A6
SCHEMBL13150453 0.72 SMN1; SMN2 (0.60) SMN1; SMN2DRD4DRD2DRD3CYP2A6
SCHEMBL2328515 0.71 DRD4 (0.59) DRD4DRD2DRD3MAPT
SCHEMBL20140731 0.71 DRD4 (0.54) DRD4DRD2DRD3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 US claimed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 US claimed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 US claimed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 US claimed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 WO claimed
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 US disclosed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 US disclosed
US-7235661-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2007-06-26 US disclosed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 US disclosed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 US disclosed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 US disclosed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 US disclosed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 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 (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-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 SMN1; SMN2 1476/4885DRD4 1401/4885DRD2 1129/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 SMN1; SMN2 1296/4885DRD4 102/4885DRD2 66/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC SMN1; SMN2 1668/4885DRD4 100/4885DRD2 63/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 SMN1; SMN2 1476/4885DRD4 1401/4885DRD2 1129/4885

“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.