SCHEMBL3058310

SCHEMBL3058310

CC(=O)N(Cc1ccc(N2CCC(CO)CC2)nc1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
PDE10A Q9Y233 3/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.38
AOC3 Q16853 3/20 0.37
TNF P01375 1/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOD2 Q9HC29 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
SCHEMBL3063852 0.99 SLC6A9 (0.41) HRH3PDE10ASLC6A9SLC6A5SLC6A2
SCHEMBL3066199 0.86 DRD2 (0.43) SLC6A9SLC6A5SLC6A2SLC6A4SLC6A3
SCHEMBL4784363 0.82 SMO (0.43) SLC6A9SLC6A5RORCALDH1A1
SCHEMBL4740808 0.81 SLC6A9 (0.44) SLC6A9SLC6A5RORCALDH1A1
SCHEMBL3054819 0.78 ACHE (0.45) HRH3PDE10AKDM4E
SCHEMBL3824036 0.74 L3MBTL1 (0.55) LMNARORCSMN1; SMN2ALDH1A1
SCHEMBL3823818 0.74 AGER (0.48) SLC6A9SLC6A5DRD2LMNAKDM4E
SCHEMBL19598739 0.74 HRH3 (0.54) HRH3PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL1461357 0.73 PDE10A (0.46) HRH3PDE10ALMNAKDM4EABL1
SCHEMBL3860666 0.73 RORC (0.45) LMNAKDM4EKMT2ARORCSMN1; SMN2

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
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S HRH3 680/4885PDE10A 541/4885SLC6A9 508/4885

“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.