SCHEMBL2434468

SCHEMBL2434468

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.45
DRD2 P14416 2/20 0.45
TACR2 P21452 2/20 0.43
TACR1 P25103 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRK1 P41145 7/20 0.40
KDM2B Q8NHM5 1/20 0.40
OPRM1 P35372 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL2434467 1.00 DRD4 (0.45) DRD4DRD2TACR2TACR1TSHR
SCHEMBL2433278 0.94 DRD4 (0.46) DRD4DRD2TSHRALDH1A1LMNA
SCHEMBL2434083 0.87 ALDH1A1 (0.48) DRD4DRD2TSHRALDH1A1LMNA
SCHEMBL2434087 0.87 ALDH1A1 (0.48) DRD4DRD2TSHRALDH1A1LMNA
SCHEMBL2432533 0.83 HPGD (0.50) DRD4DRD2TSHRALDH1A1SLC6A4
SCHEMBL2432536 0.83 HPGD (0.50) DRD4DRD2TSHRALDH1A1SLC6A4
SCHEMBL3364246 0.82 ALDH1A1 (0.47) TSHRALDH1A1LMNAAGTR1
SCHEMBL12293146 0.81 PKM (0.54) DRD4DRD2ALDH1A1LMNA
SCHEMBL2436540 0.81 PKM (0.54) DRD4DRD2ALDH1A1LMNA
SCHEMBL2436539 0.81 PKM (0.54) DRD4DRD2ALDH1A1LMNA

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 3 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 claimed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA DRD4 3036/4885DRD2 2185/4885TACR2 1347/4885

“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.