SCHEMBL4002935

SCHEMBL4002935

Cc1cccnc1C1=CCN(CNC(=O)c2cccc(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.45
DRD2 P14416 3/20 0.45
HTR1A P08908 5/20 0.42
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY1R P25929 1/20 0.39
RECQL P46063 1/20 0.39
NPY2R P49146 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4005802 0.91 DRD4 (0.54) DRD4DRD2HTR1ADRD3KDM4E
SCHEMBL4011618 0.89 HTR1A (0.46) DRD4DRD2HTR1ADRD3
SCHEMBL4005072 0.89 DRD2 (0.47) DRD4DRD2HTR1ADRD3ALDH1A1
SCHEMBL4002541 0.87 DRD4 (0.48) DRD4DRD2DRD3ALDH1A1CYP2C9
SCHEMBL4002339 0.84 DRD4 (0.50) DRD4DRD2HTR1A
SCHEMBL4010506 0.82 MAPK1 (0.41) DRD4DRD2HTR1AKDM4E
SCHEMBL4009673 0.80 DRD4 (0.58) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL4000687 0.77 DRD4 (0.49) DRD4DRD2HTR1AKDM4E
SCHEMBL4005468 0.77 HTR1A (0.49) DRD4DRD2HTR1A
SCHEMBL4003835 0.77 DRD4 (0.64) DRD4DRD2HTR1ADRD3KDM4E

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 9 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
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 DRD4 1497/4885DRD2 1644/4885HTR1A 690/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885HTR1A 690/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885DRD2 1439/4885HTR1A 1246/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885HTR1A 690/4885

“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.