SCHEMBL13218436

SCHEMBL13218436

CC(C)(C)[Si](C)(C)OCc1cc2cccc(C(=O)O)n2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRN P28799 7/20 0.36
SORT1 Q99523 7/20 0.36
SLC16A3 O15427 7/20 0.33
BACE1 P56817 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MCTS1 Q9ULC4 4/20 0.32
HTR4 Q13639 1/20 0.32
SLC16A1 P53985 5/20 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
SCHEMBL13218435 0.90 BACE1 (0.33) SLC16A3BACE1HTR4
SCHEMBL13218433 0.80
SCHEMBL13218434 0.79 BACE1 (0.32) BACE1
SCHEMBL13239157 0.78 HDAC4 (0.36) GRNSORT1HTR4
SCHEMBL29302636 0.71 SPR (0.31) BACE1
SCHEMBL13218437 0.70 DRD2 (0.43) KDM4E
SCHEMBL31115321 0.69 HTR4 (0.38) GRNSORT1KDM4EHTR4
SCHEMBL29289860 0.69 MRGPRX4 (0.52) KDM4E
SCHEMBL5341608 0.68 MRGPRX4 (0.52)
SCHEMBL26926749 0.68 LMNA (0.55) SLC16A3BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
EP-2591675-A1 Heteroaryl amide derivatives H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 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 (2 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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 GRN 4600/4885SORT1 3607/4885SLC16A3 521/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 GRN 4600/4885SORT1 3607/4885SLC16A3 521/4885

“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.