SCHEMBL13136751

SCHEMBL13136751

CNCc1ccc(Cl)cc1CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.44
KCNH2 Q12809 8/20 0.44
HTR2A P28223 7/20 0.44
FFAR1 O14842 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
POLB P06746 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL13136748 0.86 FFAR1 (0.44) FFAR1NPSR1FFAR4HDAC6
SCHEMBL27387853 0.81 NPSR1 (0.46) FFAR1NPSR1FFAR4POLBHDAC6
SCHEMBL11259285 0.79 GAA (0.49) FFAR1NPSR1FFAR4POLBHDAC6
SCHEMBL7109335 0.79 KCNH2 (0.46) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL11266144 0.79 KDM4E (0.45) FFAR1NPSR1FFAR4POLBHDAC6
SCHEMBL1197122 0.78 IDO1 (0.47) NPSR1
SCHEMBL13136705 0.78 KEAP1 (0.48) SLC6A4FFAR1NPSR1FFAR4SLC6A2
Hydrochloric Acid SCHEMBL3051856 0.78 PLAU (0.44) FFAR1NPSR1FFAR4POLBHDAC6
SCHEMBL9309798 0.78 FFAR1 (0.47) HTR2AFFAR1NPSR1FFAR4HDAC6
SCHEMBL10745896 0.77 NPSR1 (0.63) FFAR1NPSR1FFAR4POLBHDAC6

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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 SLC6A4 114/4885KCNH2 1243/4885HTR2A 33/4885

“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.