SCHEMBL4823946

SCHEMBL4823946

c1cnc(N2CCN(Cc3nc4cscc4[nH]3)CC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.69
GRM2 Q14416 1/20 0.54
DRD2 P14416 2/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
OPRK1 P41145 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4825126 0.85 DRD4 (0.74) DRD4GRM2DRD2KDM4EALDH1A1
SCHEMBL4809160 0.82 DRD4 (1.00) DRD4GRM2DRD2KDM4EALDH1A1
SCHEMBL4823546 0.81 DRD4 (0.77) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4824080 0.78 DRD4 (0.74) DRD4GRM2DRD2KDM4EALDH1A1
SCHEMBL4826073 0.78 GAA (0.70) DRD4DRD2KDM4EMAPTNPC1
SCHEMBL4823304 0.76 DRD4 (0.76) DRD4DRD2NPC1GAA
SCHEMBL5632483 0.76 DRD4 (0.50) DRD4GRM2DRD2KDM4EALDH1A1
SCHEMBL4819196 0.76 DRD4 (0.76) DRD4DRD2KDM4EALDH1A1MAPT
SCHEMBL3396533 0.72 DRD4 (0.70) DRD4GRM2DRD2KDM4EALDH1A1
SCHEMBL3394617 0.72 DRD4 (0.70) DRD4KDM4EALDH1A1MAPTGAA

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 12 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
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

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 DRD4 1401/4885GRM2 1168/4885DRD2 1129/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 102/4885GRM2 1972/4885DRD2 66/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC DRD4 100/4885GRM2 1810/4885DRD2 63/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 1401/4885GRM2 1168/4885DRD2 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.