SCHEMBL4001553

SCHEMBL4001553

O=C(NCN1CC=C(c2ccccn2)CC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.50
HTR1A P08908 7/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2B P41595 1/20 0.50
DRD2 P14416 6/20 0.47
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 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
SCHEMBL4009124 0.79 ALDH1A1 (0.61) DRD4HTR1AHTR2AHTR7ADRA1A
SCHEMBL4002563 0.77 HSD11B1 (0.50) DRD4HTR1AHTR2ASIGMAR1ALDH1A1
SCHEMBL4002955 0.77 DRD4 (0.54) DRD4HTR1ADRD2SIGMAR1PPARG
SCHEMBL4011088 0.77 DRD4 (0.59) DRD4ADRA1AADRA1BDRD2ALDH1A1
SCHEMBL4005468 0.76 HTR1A (0.49) DRD4HTR1ADRD2SIGMAR1PPARG
SCHEMBL4003835 0.76 DRD4 (0.64) DRD4HTR1AHTR2ADRD2SIGMAR1
SCHEMBL4002339 0.75 DRD4 (0.50) DRD4HTR1ADRD2SIGMAR1PPARG
SCHEMBL4010998 0.75 DRD4 (0.53) DRD4HTR1ADRD2SIGMAR1ADORA3
SCHEMBL4006839 0.75 DRD4 (0.52) DRD4HTR1ADRD2SIGMAR1RAB9A
SCHEMBL4010202 0.74 ALDH1A1 (0.61) HTR1ADRD2ALDH1A1KDM4E

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 DRD4 1497/4885HTR1A 690/4885HTR2A 1701/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885HTR1A 690/4885HTR2A 1701/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 DRD4 1334/4885HTR1A 1246/4885HTR2A 1385/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 DRD4 1497/4885HTR1A 690/4885HTR2A 1701/4885

“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.