SCHEMBL4009124

SCHEMBL4009124

O=C(CN1CC=C(c2ccccn2)CC1)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
MAPT P10636 1/20 0.61
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD4 P21917 3/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2B P41595 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL4001553 0.79 DRD4 (0.50) ALDH1A1KDM4EMAPTSIGMAR1DRD4
SCHEMBL4003139 0.78 ALDH1A1 (0.71) ALDH1A1SIGMAR1DRD4KMT2ATSHR
SCHEMBL4007305 0.78 MEN1 (0.55) KDM4EMAPTSIGMAR1DRD4KMT2A
SCHEMBL4007359 0.77 KDM4E (0.54) ALDH1A1KDM4EMAPTSIGMAR1DRD4
SCHEMBL4010704 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSIGMAR1KMT2A
SCHEMBL4005330 0.77 KMT2A (0.52) KDM4EMAPTSIGMAR1DRD4KMT2A
SCHEMBL4004039 0.77 KDM4E (0.53) KDM4EMAPTSIGMAR1DRD4KMT2A
SCHEMBL4005094 0.76 DRD4 (0.54) ALDH1A1KDM4EMAPTSIGMAR1DRD4
SCHEMBL4006631 0.76 KDM4E (0.55) ALDH1A1KDM4EMAPTSIGMAR1DRD4
SCHEMBL4009635 0.75 DRD4 (0.61) ALDH1A1KDM4EMAPTSIGMAR1DRD4

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 12 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
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP 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
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885KDM4E 2903/4885MAPT 3896/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885KDM4E 2903/4885MAPT 3896/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885KDM4E 2613/4885MAPT 3453/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885KDM4E 2903/4885MAPT 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.