SCHEMBL2435720

SCHEMBL2435720

NC(=O)CCCC1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRB2 P47870 2/20 0.50
SLC6A12 P48065 2/20 0.50
SLC6A11 P48066 2/20 0.50
SLC6A13 Q9NSD5 2/20 0.50
GABRA1 P14867 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRA4 P48169 1/20 0.50
FAAH O00519 1/20 0.40
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
KMT2A Q03164 3/20 0.40
NAAA Q02083 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 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
SCHEMBL16395705 0.93 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16395706 0.93 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL30701374 0.93 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27922990 0.90 SLC6A1 (0.52) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28326688 0.90 SLC6A1 (0.52) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL17560473 0.89 SLC6A1 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2543926 0.88 FAAH (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL7535228 0.86 FAAH (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5494841 0.85 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12606931 0.83 SLC6A1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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-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 SLC6A1 1148/4885GABRA5 1261/4885GABRB2 1511/4885

“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.