SCHEMBL4208644

SCHEMBL4208644

CC(C)(C)c1ccc2c(n1)CCN(C(=O)O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
ESR2 Q92731 1/20 0.35
KCNA1 Q09470 2/20 0.34
KCNAB1 Q14722 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
NR1H2 P55055 1/20 0.34
GRM5 P41594 3/20 0.34
ENPP2 Q13822 1/20 0.34
MAPT P10636 3/20 0.33
SPR P35270 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDK2 Q15119 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 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
SCHEMBL28974312 0.90 NOTUM (0.39) NOTUMHDAC6ESR2HDAC8NR1H2
SCHEMBL13568080 0.83 ESR2 (0.51) ESR2NR1H2GRM5MAPTMEN1
SCHEMBL28935862 0.80 SORT1 (0.39) HDAC6ESR2HDAC8GRM5MAPT
SCHEMBL18806154 0.80 NOTUM (0.41) NOTUMHDAC6ESR2HDAC8NR1H2
SCHEMBL3722961 0.79 ABHD6 (0.39) NOTUMHDAC6KCNA1KCNAB1HDAC8
SCHEMBL4011215 0.78 GRM5 (0.36) NOTUMESR2GRM5ENPP2MAPT
SCHEMBL18806197 0.78 GABRG2 (0.48) NOTUMNR1H2GRM5ENPP2MAPT
SCHEMBL18819906 0.78 CDK6 (0.40) NOTUMENPP2GABRG2GABRB3GABRA5
SCHEMBL20249388 0.78 PDGFRB (0.39) NOTUMHDAC6KCNA1KCNAB1HDAC8
SCHEMBL28935833 0.77 GRM5 (0.37) NOTUMNR1H2GRM5MAPTGABRG2

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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A NOTUM 4402/4885HDAC6 2249/4885ESR2 550/4885

“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.