SCHEMBL5481818

SCHEMBL5481818

CC(C)(C)OC(=O)c1ccccc1N1CCC(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.49
GPR119 Q8TDV5 1/20 0.46
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 3/20 0.41
APAF1 O14727 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CASP3 P42574 1/20 0.41
RECQL P46063 1/20 0.41
GALK1 P51570 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41

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
SCHEMBL6916048 0.81 NPC1 (0.59) KMT2AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6139909 0.81 MYC (0.42) GPR119KDM4EKMT2ANPC1MEN1
SCHEMBL28437453 0.80 HDAC3 (0.49) KMT2APOLBMAPTNPC1SMN1; SMN2
SCHEMBL30777649 0.79 ADRB1 (0.49) CYP2C19MAPT
SCHEMBL8219392 0.79 ADRB1 (0.49) CYP2C19MAPT
SCHEMBL2558795 0.79 NPC1 (0.64) NOTUMRAB9AKDM4ECYP2C19KMT2A
SCHEMBL21679219 0.77 GPR119 (0.53) NOTUMGPR119FFAR4
SCHEMBL3436316 0.75 TSHR (0.58) NOTUMKDM4ECYP2C19MAPT
SCHEMBL5798551 0.75 NOTUM (0.58) NOTUMRAB9AKDM4ECYP2C19KMT2A
SCHEMBL5800932 0.75 NOTUM (0.81) NOTUMRAB9AKDM4ECYP2C19KMT2A

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-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 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-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A NOTUM 234/4885GPR119 1187/4885RAB9A 1074/4885

“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.