SCHEMBL4007359

SCHEMBL4007359

Cc1cccc(C)c1NC(=O)CN1CC=C(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
DRD4 P21917 8/20 0.52
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL4001809 0.93 DRD4 (0.63) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4001565 0.93 KDM4E (0.63) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4008952 0.91 KMT2A (0.49) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4000378 0.91 DRD4 (0.64) KDM4ELMNAMAPTDRD4ALDH1A1
SCHEMBL4007220 0.90 DRD4 (0.62) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4005330 0.89 KMT2A (0.52) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4005094 0.88 DRD4 (0.54) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4007305 0.87 MEN1 (0.55) KDM4ELMNAMAPTDRD4SIGMAR1
SCHEMBL4006705 0.86 KDM4E (0.53) KDM4ELMNAMAPTDRD4ALDH1A1
SCHEMBL4005384 0.85 DRD4 (0.63) KDM4EMAPTDRD4ALDH1A1DRD2

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 10 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-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 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 KDM4E 2903/4885LMNA 4331/4885MAPT 3896/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KDM4E 2903/4885LMNA 4331/4885MAPT 3896/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 KDM4E 2613/4885LMNA 4410/4885MAPT 3453/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KDM4E 2903/4885LMNA 4331/4885MAPT 3896/4885

“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.