SCHEMBL31370769

SCHEMBL31370769

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(Br)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
FPR3 P25089 3/20 0.41
FPR2 P25090 3/20 0.41
DRD2 P14416 2/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CAMK2D Q13557 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MIF P14174 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
SCHEMBL31370454 0.87 CPB2 (0.43) FPR3FPR2DRD2GSK3BDYRK1A
SCHEMBL19027486 0.86 DRD2 (0.45) DRD2CPB2TDP1STK17BSTK17A
SCHEMBL29357525 0.86 CA12 (0.47) GSK3BDYRK1A
SCHEMBL31627121 0.85 DRD2 (0.44) DRD2GSK3BCAMK2DCYP3A4ACACB
SCHEMBL17998112 0.84 CACNA1G (0.49) DRD2TDP1CYP3A4
SCHEMBL18990999 0.83 DRD2 (0.39) DRD2GSK3BDYRK1AARACACB
SCHEMBL30271521 0.82 TDP1 (0.47) FPR3FPR2DRD2TDP1STK17B
SCHEMBL16169727 0.82 DYRK1A (0.41) DRD2GSK3BDYRK1AACACBACACA
SCHEMBL9977832 0.82 CREBBP (0.42) DRD2GSK3BDYRK1AARACACB
SCHEMBL14791639 0.82 FGFR1 (0.46) ACACBACACA

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KCNH2 4691/4885FPR3 3705/4885FPR2 3596/4885

“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.