SCHEMBL4818549

SCHEMBL4818549

COc1ccccc1N1CCN(Cc2nc3cccnc3s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.54
▸ DRD4 P21917 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MPI P34949 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ HTR7 P34969 2/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ HTR2A P28223 1/20 0.53

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
SCHEMBL4823627 0.87 KDM4E (0.47) DRD2DRD4MAPTKMT2AKDM4E
SCHEMBL4824555 0.86 KDM4E (0.53) DRD2DRD4MAPTSMN1; SMN2LMNA
SCHEMBL14761417 0.84 DRD4 (0.58) DRD2DRD4MAPTSMN1; SMN2LMNA
SCHEMBL4814392 0.84 DRD4 (0.53) DRD2DRD4LMNARAB9AKDM4E
SCHEMBL4814128 0.83 LMNA (0.53) DRD2DRD4MAPTSMN1; SMN2LMNA
SCHEMBL4823350 0.83 DRD4 (0.54) DRD2DRD4KMT2AKDM4EALDH1A1
SCHEMBL4822174 0.81 DRD4 (0.54) DRD2DRD4HTR7HTR1AHTR2A
SCHEMBL4822059 0.80 LMNA (0.52) DRD2DRD4MAPTSMN1; SMN2LMNA
SCHEMBL4816719 0.80 DRD4 (0.53) DRD2DRD4KMT2AKDM4EALDH1A1
SCHEMBL4821529 0.79 DRD4 (0.57) DRD2DRD4SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 — — US claimed
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-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 — — 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 DRD2 1129/4885DRD4 1401/4885MAPT 2852/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 DRD2 66/4885DRD4 102/4885MAPT 2666/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC DRD2 63/4885DRD4 100/4885MAPT 2685/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD2 1129/4885DRD4 1401/4885MAPT 2852/4885

“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.

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