SCHEMBL4004259

SCHEMBL4004259

Cc1ccccc1NC(=O)CN1CC=C(c2ncccc2C#N)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD4 P21917 2/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4006848 0.90 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4011528 0.89 KMT2A (0.52) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4005747 0.86 KMT2A (0.60) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4007143 0.86 KDM4E (0.53) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4006274 0.85 KMT2A (0.59) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4002538 0.83 KMT2A (0.55) KMT2ASMN1; SMN2KDM4EMAPTLMNA
SCHEMBL4004550 0.82 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL4005330 0.81 KMT2A (0.52) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4006805 0.81 KMT2A (0.74) KMT2ASMN1; SMN2MEN1KDM4EMAPT
SCHEMBL4004624 0.80 MAPK1 (0.56) KMT2ASMN1; SMN2MEN1KDM4EMAPT

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 7 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-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 KMT2A 2169/4885SMN1; SMN2 1213/4885MEN1 2828/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KMT2A 2169/4885SMN1; SMN2 1213/4885MEN1 2828/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 KMT2A 1792/4885SMN1; SMN2 1699/4885MEN1 3823/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KMT2A 2169/4885SMN1; SMN2 1213/4885MEN1 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.