SCHEMBL4817050

SCHEMBL4817050

Fc1ccc2[nH]c(CN3CCCN(c4ccccn4)CC3)cc2c1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.92
DRD2 P14416 11/20 0.92
DRD3 P35462 10/20 0.92
HTR1A P08908 6/20 0.92
ADRA2C P18825 3/20 0.92
OPRK1 P41145 2/20 0.92
ADRA2A P08913 1/20 0.92
ADRA2B P18089 1/20 0.92
SIGMAR1 Q99720 5/20 0.52
HTR2A P28223 5/20 0.52
HTR7 P34969 5/20 0.52
SLC6A4 P31645 2/20 0.52
HTR2C P28335 2/20 0.52
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TMEM97 Q5BJF2 2/20 0.48
BRD4 O60885 1/20 0.47

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
SCHEMBL4814827 0.96 DRD4 (1.00) DRD4DRD2DRD3HTR1AADRA2C
Fumaric Acid SCHEMBL4824588 0.87 DRD4 (0.83) DRD4DRD2DRD3HTR1AADRA2C
Maleic Acid SCHEMBL4824577 0.87 DRD4 (0.83) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL6793139 0.83 DRD4 (0.77) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL30041333 0.83 DRD4 (0.77) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL6786631 0.83 DRD4 (0.77) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL28962388 0.80 DRD4 (0.72) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL4823536 0.78 DRD4 (0.59) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL4808578 0.78 DRD4 (0.84) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL6793465 0.76 DRD4 (0.76) DRD4DRD2DRD3HTR1AADRA2C

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 11 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
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 1129/4885DRD3 1050/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 102/4885DRD2 66/4885DRD3 81/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC DRD4 100/4885DRD2 63/4885DRD3 85/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 1401/4885DRD2 1129/4885DRD3 1050/4885

“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.