SCHEMBL4010704

SCHEMBL4010704

O=C(CN1CC=C(c2ccccn2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 3/20 0.56
THRB P10828 2/20 0.51
ATM Q13315 1/20 0.48
REV1 Q9UBZ9 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP3 P42574 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4007305 0.91 MEN1 (0.55) KDM4ETHRBLMNANPC1RAB9A
SCHEMBL4004039 0.89 KDM4E (0.53) KDM4ETHRBATMLMNANPC1
SCHEMBL4002904 0.86 HPGD (0.55) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL4007623 0.86 KCNA5 (0.53) ALDH1A1ATMMAPTHPGDMEN1
SCHEMBL4009678 0.86 RAB9A (0.52) ALDH1A1KDM4ELMNARAB9AMAPT
SCHEMBL4003903 0.85 KDM4E (0.50) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL4006631 0.84 KDM4E (0.55) ALDH1A1KDM4ETHRBLMNAMAPT
SCHEMBL4005068 0.84 KMT2A (0.48) ALDH1A1KDM4ELMNARAB9AMAPT
SCHEMBL4001525 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL4005384 0.83 DRD4 (0.63) ALDH1A1KDM4EMAPTMAPK1

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
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
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 2903/4885THRB 4311/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885KDM4E 2903/4885THRB 4311/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885KDM4E 2613/4885THRB 4066/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885KDM4E 2903/4885THRB 4311/4885

“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.