SCHEMBL5780686

SCHEMBL5780686

COc1ncc(C)cc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 3/20 0.50
SLC13A2 Q13183 1/20 0.50
SLC13A3 Q8WWT9 1/20 0.50
CYP3A4 P08684 5/20 0.36
CYP2C9 P11712 4/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CSF1R P07333 1/20 0.33
KIT P10721 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
AURKC Q9UQB9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 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
SCHEMBL12093547 0.82 SLC13A5 (0.51) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL24092341 0.81 SLC13A5 (0.47) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL20670339 0.81 SLC13A5 (0.47) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL1477059 0.81 CYP2C9 (0.43) SLC13A5SLC13A2SLC13A3CYP2C9ALDH1A1
SCHEMBL5780868 0.81 SLC13A5 (0.50) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL5779592 0.79 CNR2 (0.36) SLC13A5SLC13A2SLC13A3ALDH1A1GFER
SCHEMBL22690068 0.79 CYP2C9 (0.42) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL12250796 0.78 SLC13A5 (0.45) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL24802484 0.77 SLC13A5 (0.44) SLC13A5SLC13A2SLC13A3CYP3A4CYP2C9
SCHEMBL24802482 0.75 SLC13A5 (0.49) SLC13A5SLC13A2SLC13A3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 WO disclosed
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 WO disclosed
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 SLC13A5 202/4885SLC13A2 650/4885SLC13A3 227/4885

“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.