SCHEMBL4009985

SCHEMBL4009985

O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1F

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
KMT2A Q03164 6/20 0.72
MEN1 O00255 5/20 0.72
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 4/20 0.65
THRB P10828 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
RAB9A P51151 1/20 0.62
TSHR P16473 2/20 0.62
LMNA P02545 2/20 0.61
DRD2 P14416 3/20 0.60
DRD4 P21917 3/20 0.60
DRD3 P35462 2/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL3488077 0.88 ALDH1A1 (0.69) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4010416 0.85 POLB (0.84) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4006650 0.84 ALDH1A1 (0.93) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4004216 0.81 DRD4 (0.63) POLBMAPTRAB9ADRD2DRD4
SCHEMBL4010491 0.80 KMT2A (0.77) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4004192 0.79 MAPK1 (0.80) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6173210 0.79 ALDH1A1 (1.00) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8357081 0.79 SMN1; SMN2 (0.75) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4008925 0.79 THRB (1.00) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14125406 0.77 ALDH1A1 (0.77) POLBKMT2AMEN1ALDH1A1KDM4E

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 11 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
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 POLB 3627/4885KMT2A 2169/4885MEN1 2828/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 POLB 3627/4885KMT2A 2169/4885MEN1 2828/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 POLB 3383/4885KMT2A 1792/4885MEN1 3823/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 POLB 3627/4885KMT2A 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.