SCHEMBL7977776

SCHEMBL7977776

CC1CCN(C(=O)CCC(=N)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 4/20 0.47
AGTR1 P30556 1/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
HSD11B1 P28845 2/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 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
SCHEMBL7980593 0.89 TSHR (0.44) ALDH1A1HPGDLMNAKMT2AAGTR1
SCHEMBL3360999 0.87 ALDH1A1 (0.54) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL7964180 0.84 HPGD (0.57) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL7974019 0.84 TSHR (0.42) ALDH1A1HPGDLMNAKMT2AAGTR1
SCHEMBL2434083 0.80 ALDH1A1 (0.48) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL2434087 0.80 ALDH1A1 (0.48) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL3454519 0.78 HPGD (0.69) ALDH1A1HPGDLMNAKMT2ANPC1
SCHEMBL3363422 0.75 HRH3 (0.51) ALDH1A1HPGDLMNAKMT2AAGTR1
SCHEMBL13504125 0.75 KMT2A (0.68) KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL7964744 0.73 TSHR (0.48) HPGDKMT2AMEN1NPC1TSHR

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA ALDH1A1 1158/4885HPGD 40/4885LMNA 3449/4885

“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.