SCHEMBL4826073

SCHEMBL4826073

Oc1ccc(N2CCN(Cc3nc4cscc4[nH]3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.70
NPC1 O15118 2/20 0.70
DRD4 P21917 16/20 0.58
PKM P14618 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
DRD2 P14416 3/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL4814328 0.82 NPC1 (1.00) GAANPC1DRD4KDM4EHTR1A
SCHEMBL4823946 0.78 DRD4 (0.69) GAANPC1DRD4KDM4EMAPT
SCHEMBL4824080 0.76 DRD4 (0.74) DRD4KDM4EHTR1AHTR2ADRD2
SCHEMBL4825126 0.76 DRD4 (0.74) DRD4KDM4EMAPTKMT2AHTR1A
SCHEMBL13281130 0.74 GAA (0.71) GAANPC1DRD4PKMKDM4E
SCHEMBL13281133 0.74 DRD4 (1.00) GAANPC1DRD4L3MBTL1HTR1A
SCHEMBL4819196 0.74 DRD4 (0.76) DRD4KDM4EMAPTSMN1; SMN2DRD2
SCHEMBL5632483 0.74 DRD4 (0.50) GAANPC1DRD4KDM4EHTR1A
SCHEMBL4823304 0.74 DRD4 (0.76) GAANPC1DRD4HTR1AADRA2C
SCHEMBL4823546 0.72 DRD4 (0.77) DRD4KDM4EHTR1AHTR2ADRD2

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 14 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-7235661-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2007-06-26 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 GAA 1051/4885NPC1 1338/4885DRD4 1401/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 GAA 1159/4885NPC1 2443/4885DRD4 102/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC GAA 876/4885NPC1 2945/4885DRD4 100/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 GAA 1051/4885NPC1 1338/4885DRD4 1401/4885

“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.