SCHEMBL7974019

SCHEMBL7974019

N=C(CCC(=O)N1CCC(O)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRK1 P41145 7/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PKM P14618 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
OPRM1 P35372 2/20 0.37
KMT2A Q03164 1/20 0.37

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 0.93 TSHR (0.44) TSHRHPGDHSD11B1CHRM2CHRM4
SCHEMBL3364246 0.88 ALDH1A1 (0.47) TSHRHPGDHSD11B1CHRM2CHRM4
SCHEMBL7977776 0.84 ALDH1A1 (0.47) TSHRHPGDHSD11B1ALDH1A1LMNA
SCHEMBL7964180 0.81 HPGD (0.57) HPGDHSD11B1ALDH1A1SLC6A2SLC6A4
SCHEMBL2434468 0.80 DRD4 (0.45) TSHRALDH1A1LMNAAGTR1OPRK1
SCHEMBL2434467 0.80 DRD4 (0.45) TSHRALDH1A1LMNAAGTR1OPRK1
SCHEMBL3363422 0.80 HRH3 (0.51) TSHRHPGDALDH1A1LMNAAGTR1
SCHEMBL4071714 0.78 OPRK1 (0.53) HPGDOPRK1OPRM1KMT2A
SCHEMBL2433278 0.72 DRD4 (0.46) TSHRHPGDHSD11B1ALDH1A1LMNA
SCHEMBL3360999 0.71 ALDH1A1 (0.54) TSHRHPGDALDH1A1LMNAAGTR1

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 TSHR 4092/4885HPGD 40/4885HSD11B1 831/4885

“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.