SCHEMBL4819196

SCHEMBL4819196

COc1ccccc1N1CCN(Cc2nc3cscc3[nH]2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.76
DRD2 P14416 2/20 0.76
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 4/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP1 P09874 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4816882 0.86 DRD4 (1.00) DRD4DRD2
SCHEMBL4824080 0.83 DRD4 (0.74) DRD4DRD2ALDH1A1KDM4EPOLB
SCHEMBL4823304 0.83 DRD4 (0.76) DRD4DRD2
SCHEMBL3399001 0.78 PARP1 (0.78) DRD4DRD2ALDH1A1MAPTPARP1
SCHEMBL11850731 0.77 MAPT (0.69) DRD4DRD2ALDH1A1KDM4EPOLB
SCHEMBL4825126 0.76 DRD4 (0.74) DRD4DRD2ALDH1A1KDM4EMAPT
SCHEMBL4812331 0.76 DRD4 (1.00) DRD4DRD2ALDH1A1KDM4E
SCHEMBL4823946 0.76 DRD4 (0.69) DRD4DRD2ALDH1A1KDM4EMAPT
SCHEMBL22602369 0.75 DRD4 (0.64) DRD4DRD2KDM4EMAPTSMN1; SMN2
SCHEMBL5632483 0.74 DRD4 (0.50) DRD4DRD2ALDH1A1KDM4EHTT

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-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

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 1401/4885DRD2 1129/4885ALDH1A1 246/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 102/4885DRD2 66/4885ALDH1A1 91/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC DRD4 100/4885DRD2 63/4885ALDH1A1 206/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 1401/4885DRD2 1129/4885ALDH1A1 246/4885

“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.