SCHEMBL4008952

SCHEMBL4008952

Cc1cccc(C(C)C)c1NC(=O)CN1CC=C(c2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
DRD4 P21917 7/20 0.47
SOAT1 P35610 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 2/20 0.40
HTR1A P08908 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4007359 0.91 KDM4E (0.54) KMT2AKDM4EMAPTLMNADRD4
SCHEMBL4001809 0.87 DRD4 (0.63) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4001565 0.87 KDM4E (0.63) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4000378 0.85 DRD4 (0.64) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4005330 0.83 KMT2A (0.52) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4005094 0.82 DRD4 (0.54) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4007220 0.82 DRD4 (0.62) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4007305 0.81 MEN1 (0.55) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4005384 0.80 DRD4 (0.63) TDP1KDM4EMAPTDRD4DRD2
SCHEMBL4004314 0.79 MAPT (0.54) KMT2AMEN1KDM4EMAPTLMNA

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
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP 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
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 2169/4885MEN1 2828/4885TDP1 1720/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KMT2A 2169/4885MEN1 2828/4885TDP1 1720/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 KMT2A 1792/4885MEN1 3823/4885TDP1 2705/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 KMT2A 2169/4885MEN1 2828/4885TDP1 1720/4885

“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.