SCHEMBL4824070

SCHEMBL4824070

CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.66
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL29465471 0.85 HRH4 (0.69) HRH4KMT2AMEN1HRH3
SCHEMBL22615126 0.85 HRH4 (0.69) HRH4KMT2AMEN1HRH3
SCHEMBL2351433 0.83 HRH4 (0.78) HRH4MAPTKDM4EKMT2AMEN1
SCHEMBL6382929 0.83 KMT2A (0.73) HRH4KMT2AMEN1RAB9AHRH3
SCHEMBL3539385 0.83 KMT2A (0.51) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL23441333 0.83 HRH4 (0.50) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL3166069 0.83 KMT2A (0.53) HRH4MAPTKDM4EKMT2AMEN1
SCHEMBL3541555 0.83 HRH3 (0.53) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL3169524 0.83 KMT2A (0.66) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL2347252 0.82 HRH4 (0.76) HRH4MAPTKDM4EKMT2AMEN1

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 7 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 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 HRH4 812/4885MAPT 2852/4885KDM4E 3657/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 HRH4 555/4885MAPT 2666/4885KDM4E 2778/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC HRH4 639/4885MAPT 2685/4885KDM4E 2026/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 HRH4 812/4885MAPT 2852/4885KDM4E 3657/4885

“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.