SCHEMBL13901792

SCHEMBL13901792

Cn1nc(C(=O)Nc2ccc(CN3CC(C(=O)O)C3)cc2Cl)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
GRM5 P41594 1/20 0.46
S1PR5 Q9H228 12/20 0.46
S1PR1 P21453 11/20 0.46
PDCD1 Q15116 2/20 0.45
CD274 Q9NZQ7 2/20 0.45
MME P08473 1/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR4 O95977 2/20 0.43
HTR2A P28223 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL13901789 0.88 GRM5 (0.51) KCNH2GRM5S1PR5S1PR1PDCD1
SCHEMBL4083132 0.88 S1PR5 (0.44) KCNH2S1PR5S1PR1PDCD1CD274
SCHEMBL13912802 0.88 S1PR5 (0.43) KCNH2S1PR5S1PR1PDCD1CD274
SCHEMBL13901777 0.76 NPC1 (0.51) S1PR5S1PR1PDCD1CD274S1PR3
SCHEMBL13901659 0.76 S1PR1 (0.41) KCNH2S1PR5S1PR1PDCD1CD274
SCHEMBL13901656 0.76 S1PR5 (0.43) KCNH2S1PR5S1PR1PDCD1CD274
SCHEMBL13901782 0.76 S1PR1 (0.46) S1PR5S1PR1PDCD1CD274S1PR3
SCHEMBL13901784 0.71 S1PR5 (0.50) S1PR5S1PR1PDCD1CD274S1PR3
SCHEMBL13901966 0.71 NPC1 (0.47) S1PR5S1PR1PDCD1CD274S1PR3
SCHEMBL13901655 0.71 S1PR5 (0.48) KCNH2S1PR5S1PR1S1PR3HTR2A

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 KCNH2 4732/4885GRM5 3761/4885S1PR5 2429/4885

“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.