SCHEMBL4825044

SCHEMBL4825044

COc1ccccc1N1CCN(Cc2nc3ncccc3o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ KMT2A Q03164 3/20 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
▸ HTR7 P34969 2/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR6 P50406 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL4818493 0.81 DRD4 (0.48) HTR7HTR1AHTR2ADRD2DRD4
SCHEMBL4824115 0.78 ALDH1A1 (0.57) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL9646290 0.74 HTR1A (0.60) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL4818549 0.72 DRD2 (0.54) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL4824605 0.72 HTR1A (0.61) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL9647687 0.72 HTR1A (0.65) HTR7HTR1AHTR2ADRD2DRD3
SCHEMBL30164281 0.71 PARP1 (0.37) HTR7HTR1AHTR2ADRD2DRD4
SCHEMBL29232335 0.71 PARP1 (0.37) HTR7HTR1AHTR2ADRD2DRD4
SCHEMBL9225440 0.70 MAPK1 (0.81) LMNAHTTHTR7ALDH1A1KDM4E
SCHEMBL10839892 0.70 MAPT (1.00) MAPTSMN1; SMN2LMNAHTTKMT2A

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
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 MAPT 2852/4885SMN1; SMN2 1476/4885LMNA 4670/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 MAPT 2666/4885SMN1; SMN2 1296/4885LMNA 2277/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC MAPT 2685/4885SMN1; SMN2 1668/4885LMNA 3391/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 MAPT 2852/4885SMN1; SMN2 1476/4885LMNA 4670/4885

“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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