SCHEMBL3317282

SCHEMBL3317282

CC(C)CC(=O)N1CCC(CBr)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
EPHX2 P34913 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
SCHEMBL864304 0.84 POLB (0.50) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12086276 0.84 POLB (0.54) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL3315105 0.83 NPC1 (0.43) KDM4EALDH1A1TDP1KMT2ANPC1
SCHEMBL12413724 0.82 POLB (0.49) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12258944 0.81 POLB (0.47) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL22151607 0.81 POLB (0.51) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL3317695 0.79 EPHX2 (0.49) ALDH1A1NPC1EPHX2
SCHEMBL12932588 0.79 POLB (0.53) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL12197944 0.79 ALDH1A1 (0.60) POLBNPSR1L3MBTL1PTPN1KDM4E
SCHEMBL19104803 0.79 POLB (0.46) POLBNPSR1L3MBTL1PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 POLB 4094/4885NPSR1 300/4885L3MBTL1 2448/4885

“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.