SCHEMBL5337885

SCHEMBL5337885

COC(=O)c1cn(Cc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.51
KDM1B Q8NB78 2/20 0.51
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
ACHE P22303 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 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
SCHEMBL5338852 0.85 KDM1A (0.54) KDM1AKDM1BSMARCA2SMARCA4PBRM1
SCHEMBL14355975 0.83 LMNA (0.44)
SCHEMBL7981893 0.77 GAA (0.56) SMARCA2SMARCA4PBRM1ACHE
SCHEMBL5336529 0.76 MC4R (0.54) KDM1AKDM1BSMARCA2SMARCA4PBRM1
SCHEMBL416461 0.76 ACHE (0.51) SMARCA2SMARCA4PBRM1ACHE
SCHEMBL28708137 0.76 GPR119 (0.49) SMARCA2SMARCA4PBRM1ACHE
SCHEMBL5335100 0.75 PLA2G7 (0.61) SMARCA2SMARCA4PBRM1ACHE
SCHEMBL615082 0.75 GPR119 (0.48) SMARCA2SMARCA4PBRM1ACHE
SCHEMBL615074 0.75 CHRM2 (0.52) SMARCA2SMARCA4PBRM1ACHE
SCHEMBL5338122 0.74 ACHE (0.49) SMARCA2SMARCA4PBRM1ACHE

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-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R KDM1A 1917/4885KDM1B 2814/4885SMARCA2 4437/4885

“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.