SCHEMBL4824115

SCHEMBL4824115

COc1ccccc1N1CCN(Cc2cc3ncccc3o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ LMNA P02545 4/20 0.55
▸ HTT P42858 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ KLF5 Q13887 1/20 0.55
▸ 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

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
SCHEMBL4817067 0.83 KDM4E (0.52) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL4818594 0.81 DRD4 (0.51) HTR1AHTR7HTR2ADRD2DRD4
SCHEMBL4823372 0.80 KDM4E (0.52) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4823578 0.79 DRD4 (0.52) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL3398900 0.79 HTR1A (0.65) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL11633843 0.79 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4825044 0.78 MAPT (0.54) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7106423 0.78 HTR1A (0.48) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL4825079 0.77 PARP1 (0.42) HTR1ADRD4HTR2B
SCHEMBL4825010 0.75 DRD4 (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E

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 ALDH1A1 246/4885KMT2A 3978/4885MEN1 3948/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 ALDH1A1 91/4885KMT2A 2895/4885MEN1 3289/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC ALDH1A1 206/4885KMT2A 2683/4885MEN1 4507/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 ALDH1A1 246/4885KMT2A 3978/4885MEN1 3948/4885

“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.

Send feedback