SCHEMBL4008902

SCHEMBL4008902

COc1cc(OC)cc(C(=O)NCN2CC=C(c3ccccn3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
TRPV4 Q9HBA0 1/20 0.47
DRD4 P21917 3/20 0.46
DRD2 P14416 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
KAT6A Q92794 1/20 0.42

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
SCHEMBL4006656 0.93 DRD4 (0.55) TDP1DRD4DRD2PPARGPPARA
SCHEMBL4002955 0.88 DRD4 (0.54) DRD4DRD2PPARGPPARAMEN1
SCHEMBL4003835 0.85 DRD4 (0.64) DRD4DRD2LMNAKDM4EHTT
SCHEMBL4005468 0.85 HTR1A (0.49) DRD4DRD2PPARGPPARASIGMAR1
SCHEMBL4010998 0.82 DRD4 (0.53) DRD4DRD2KDM4EPOLBSIGMAR1
SCHEMBL4002339 0.82 DRD4 (0.50) DRD4DRD2PPARGPPARASIGMAR1
SCHEMBL4321489 0.81 DRD4 (0.47) DRD4DRD2PPARGPPARASIGMAR1
SCHEMBL4000687 0.81 DRD4 (0.49) DRD4DRD2KDM4EPPARGPPARA
SCHEMBL4005310 0.81 DRD4 (0.49) DRD4DRD2KDM4EPPARGPPARA
SCHEMBL4004066 0.80 TLR7 (0.48) DRD4DRD2POLBSIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP claimed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US claimed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US claimed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO claimed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 TDP1 1720/4885TRPV4 2326/4885DRD4 1497/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 TDP1 1720/4885TRPV4 2326/4885DRD4 1497/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 TDP1 2705/4885TRPV4 2139/4885DRD4 1334/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 TDP1 1720/4885TRPV4 2326/4885DRD4 1497/4885

“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.