SCHEMBL4002563

SCHEMBL4002563

O=C(NCN1CC=C(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
P2RX7 Q99572 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
DRD4 P21917 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP17A1 P05093 1/20 0.41

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
SCHEMBL4001553 0.77 DRD4 (0.50) HTR1AHTR2ASIGMAR1KDM4EMAPT
SCHEMBL4002955 0.75 DRD4 (0.54) HTR1ASIGMAR1DRD4PPARGPPARA
SCHEMBL4003835 0.74 DRD4 (0.64) HTR1AHTR2ASIGMAR1KDM4ERAB9A
SCHEMBL4005468 0.74 HTR1A (0.49) HTR1ASIGMAR1DRD4PPARGPPARA
SCHEMBL4010998 0.73 DRD4 (0.53) HTR1ASIGMAR1KDM4EDRD4
SCHEMBL4006839 0.73 DRD4 (0.52) HTR1ASIGMAR1KDM4EMAPTAGTR1
SCHEMBL4002339 0.73 DRD4 (0.50) HTR1ASIGMAR1DRD4PPARGPPARA
SCHEMBL4321489 0.73 DRD4 (0.47) HTR1ASIGMAR1DRD4HPGDPPARG
SCHEMBL4008902 0.72 TDP1 (0.53) HTR1ASIGMAR1KDM4EMAPTRECQL
SCHEMBL4004066 0.71 TLR7 (0.48) HTR1ASIGMAR1DRD4ALDH1A1

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 HSD11B1 552/4885HTR1A 690/4885HTR2A 1701/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885HTR1A 690/4885HTR2A 1701/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 HSD11B1 804/4885HTR1A 1246/4885HTR2A 1385/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HSD11B1 552/4885HTR1A 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.