SCHEMBL4011618

SCHEMBL4011618

Cc1cccnc1C1=CCN(CNC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.46
SIGMAR1 Q99720 5/20 0.43
HTR1F P30939 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL4002935 0.89 DRD4 (0.45) HTR1ADRD2DRD3DRD4
SCHEMBL4005802 0.86 DRD4 (0.54) HTR1AMEN1KMT2ADRD2DRD3
SCHEMBL4010506 0.85 MAPK1 (0.41) HTR1AKMT2ADRD2DRD4
SCHEMBL4005072 0.83 DRD2 (0.47) HTR1AMEN1KMT2ADRD2DRD3
SCHEMBL4002541 0.82 DRD4 (0.48) MEN1KMT2ADRD2DRD3DRD4
SCHEMBL4010559 0.80 REV1 (0.51) TRPV1MEN1KMT2ADRD4
SCHEMBL4000687 0.76 DRD4 (0.49) HTR1ASIGMAR1DRD2DRD4
SCHEMBL3436517 0.75 WNT3A (0.43) TRPV1
SCHEMBL4002897 0.75 RAB9A (0.49) TRPV1MEN1KMT2ADRD4
SCHEMBL4009673 0.74 DRD4 (0.58) MEN1KMT2ADRD2DRD3HTR2A

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 HTR1A 690/4885SIGMAR1 2181/4885HTR1F 1042/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HTR1A 690/4885SIGMAR1 2181/4885HTR1F 1042/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HTR1A 1246/4885SIGMAR1 2938/4885HTR1F 1786/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HTR1A 690/4885SIGMAR1 2181/4885HTR1F 1042/4885

“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.