SCHEMBL13202809

SCHEMBL13202809

CC(C)C(=O)NCCCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.61
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
HTR3A P46098 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL14521448 0.98 DRD2 (0.59) RAD52DRD2DRD4SMN1; SMN2TP53
SCHEMBL18028204 0.95 RAD52 (0.55) RAD52DRD2DRD4SMN1; SMN2TP53
SCHEMBL13115892 0.95 RAD52 (0.55) RAD52DRD2DRD4SMN1; SMN2TP53
SCHEMBL12017899 0.93 SMN1; SMN2 (0.56) RAD52DRD2DRD4SMN1; SMN2TP53
SCHEMBL3594497 0.88 CA12 (0.54) RAD52SMN1; SMN2KDM4EALDH1A1
SCHEMBL9911466 0.86 RAB9A (0.54) DRD2DRD4TSHRKDM4EALDH1A1
SCHEMBL18347983 0.82 RAB9A (0.50) DRD2DRD4SMN1; SMN2TP53TSHR
SCHEMBL14520631 0.81 USP2 (0.59) DRD2DRD4SMN1; SMN2TP53KDM4E
SCHEMBL5504349 0.81 DRD2 (0.55) RAD52DRD2DRD4SMN1; SMN2CYP1A2
SCHEMBL18912607 0.81 ALDH1A1 (0.55) RAD52SMN1; SMN2TP53CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776859-B2 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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 (1 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-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function AR, FSHR, NR5A1 RAD52 1403/4885DRD2 714/4885DRD4 993/4885

“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.