SCHEMBL4825079

SCHEMBL4825079

Cc1cccnc1N1CCN(Cc2cc3ncccc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.42
▸ TNK2 Q07912 1/20 0.42
▸ TNK1 Q13470 1/20 0.42
▸ DRD4 P21917 2/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL4819167 0.83 DRD4 (0.57) PARP1TNK2TNK1DRD4HSD11B1
SCHEMBL4823372 0.81 KDM4E (0.52) DRD4HTR1AHTR2B
SCHEMBL4823578 0.81 DRD4 (0.52) DRD4
SCHEMBL4825010 0.79 DRD4 (0.48) PARP1DRD4HTR1AHTR2B
SCHEMBL4817067 0.78 KDM4E (0.52) DRD4HTR1A
SCHEMBL4824115 0.77 ALDH1A1 (0.57) DRD4HTR1AHTR2B
SCHEMBL4818594 0.76 DRD4 (0.51) DRD4HTR1A
SCHEMBL4820489 0.75 HTR2B (0.39) DRD4HTR1AHTR2BCHRNB2CHRNA4
SCHEMBL7106423 0.73 HTR1A (0.48) DRD4HTR1A
SCHEMBL3436618 0.72 HSD11B1 (0.43) PARP1TNK2TNK1DRD4HSD11B1

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-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

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 PARP1 3721/4885TNK2 2042/4885TNK1 4167/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 PARP1 4687/4885TNK2 3330/4885TNK1 4629/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC PARP1 4797/4885TNK2 3968/4885TNK1 4815/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 PARP1 3721/4885TNK2 2042/4885TNK1 4167/4885

“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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