SCHEMBL8167674

SCHEMBL8167674

CCNC1Cc2cc(C(=O)O)[nH]c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 4/20 0.33
ADRB1 P08588 3/20 0.33
DRD3 P35462 2/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SRSF6 Q13247 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
FYN P06241 1/20 0.32

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
SCHEMBL12777455 1.00 DRD2 (0.36) DRD2ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL12777452 0.83 ALOX15 (0.37) DRD2ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL8168290 0.83 ALOX15 (0.37) DRD2ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL12844769 0.80 FYN (0.57) DRD2DRD3FYNDRD4
SCHEMBL12777454 0.80 FYN (0.57) DRD2DRD3FYNDRD4
SCHEMBL8167570 0.80 CA1 (0.44) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL12777459 0.80 CA1 (0.44) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL8167687 0.78 APOB (0.36) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777463 0.78 APOB (0.36) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL12777372 0.76 ALOX15 (0.37) ALOX15NFKB1BLMSMN1; SMN2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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 (2 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE DRD2 155/4885ALOX15 98/4885NFKB1 3351/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE DRD2 155/4885ALOX15 98/4885NFKB1 3351/4885

“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.