SCHEMBL3585846

SCHEMBL3585846

CC(C)(OC(=O)NCCC[CH]COCCc1ccccc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
IDO1 P14902 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARA Q07869 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL3594233 0.89 HTT (0.41) POLBSIGMAR1IDO1LMNAPPARA
SCHEMBL3580905 0.87 TGM2 (0.41) POLBSIGMAR1IDO1LMNAPPARA
SCHEMBL3586429 0.83 SMN1; SMN2 (0.41) SIGMAR1IDO1LMNAPPARAMAPT
SCHEMBL27928158 0.73 RIPK1 (0.50) LMNAMMP8RAB9ACYP2D6CYP2C9
SCHEMBL3584000 0.73 CYP2C9 (0.42) IDO1LMNAMMP8RAB9ACYP2D6
SCHEMBL4583683 0.70 POLB (0.65) POLBSIGMAR1IDO1CHRNB2CHRNB4
SCHEMBL4961185 0.69 SIGMAR1 (0.62) POLBSIGMAR1IDO1LMNANPSR1
SCHEMBL6274138 0.69 NPSR1 (0.56) POLBSIGMAR1IDO1NPSR1MMP8
SCHEMBL22102023 0.68 NPSR1 (0.61) POLBSIGMAR1IDO1LMNANPSR1
SCHEMBL5468072 0.68 NPSR1 (0.61) POLBSIGMAR1IDO1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 POLB 4670/4885SIGMAR1 429/4885IDO1 1915/4885

“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.