SCHEMBL4007623

SCHEMBL4007623

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
HPGD P15428 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
ABL1 P00519 1/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4010704 0.86 ALDH1A1 (0.56) KMT2AMEN1ATMHPGDALDH1A1
SCHEMBL4007305 0.86 MEN1 (0.55) KCNA5KMT2AMEN1MAPT
SCHEMBL4003481 0.85 TRPV1 (0.54) KCNA5KMT2AMEN1ATMHPGD
SCHEMBL4004039 0.84 KDM4E (0.53) KCNA5KMT2AMEN1ATMMAPT
SCHEMBL4004685 0.83 KMT2A (0.50) KCNA5KMT2AMEN1ATMHPGD
SCHEMBL4001525 0.82 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL4006338 0.81 LMNA (0.63) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL3999435 0.80 MAPK1 (0.60) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL4006631 0.79 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4002904 0.79 HPGD (0.55) KMT2AMEN1HPGDTRPV1ALDH1A1

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 8 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
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 KCNA5 1382/4885KMT2A 2169/4885MEN1 2828/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KCNA5 1382/4885KMT2A 2169/4885MEN1 2828/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 KCNA5 1304/4885KMT2A 1792/4885MEN1 3823/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KCNA5 1382/4885KMT2A 2169/4885MEN1 2828/4885

“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.