SCHEMBL4010998

SCHEMBL4010998

O=C(NCN1CC=C(c2ccccn2)CC1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.53
DRD2 P14416 5/20 0.53
DRD3 P35462 4/20 0.53
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PRMT5 O14744 3/20 0.44
WDR77 Q9BQA1 3/20 0.44
POLB P06746 1/20 0.44
SLC6A9 P48067 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
SCHEMBL4003835 0.89 DRD4 (0.64) DRD4DRD2DRD3HTR1AKDM4E
SCHEMBL4002339 0.88 DRD4 (0.50) DRD4DRD2HTR1ASIGMAR1PRMT5
SCHEMBL4321489 0.87 DRD4 (0.47) DRD4DRD2HTR1ASIGMAR1PRMT5
SCHEMBL4002955 0.85 DRD4 (0.54) DRD4DRD2DRD3HTR1ASIGMAR1
SCHEMBL4006656 0.85 DRD4 (0.55) DRD4DRD2ADORA3
SCHEMBL4004066 0.85 TLR7 (0.48) DRD4DRD2HTR1ASIGMAR1PRMT5
SCHEMBL4005468 0.84 HTR1A (0.49) DRD4DRD2HTR1ASIGMAR1PRMT5
SCHEMBL4005072 0.84 DRD2 (0.47) DRD4DRD2DRD3HTR1ASLC6A9
SCHEMBL4000687 0.84 DRD4 (0.49) DRD4DRD2HTR1AKDM4ESIGMAR1
SCHEMBL4005310 0.82 DRD4 (0.49) DRD4DRD2HTR1AKDM4ESIGMAR1

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 1644/4885DRD3 1700/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885DRD2 1439/4885DRD3 1741/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885DRD2 1644/4885DRD3 1700/4885

“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.