SCHEMBL16355708

SCHEMBL16355708

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ACACB O00763 2/20 0.45
GRB2 P62993 1/20 0.44
SLC7A5 Q01650 2/20 0.44
DPP4 P27487 1/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
EPHX1 P07099 3/20 0.42
PTPN1 P18031 1/20 0.41
KIF11 P52732 1/20 0.40
COPS5 Q92905 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL20235896 1.00 TP53 (0.45) TP53TSHRACACBGRB2SLC7A5
SCHEMBL10952481 0.88 ACACB (0.44) TP53TSHRACACBGRB2SLC7A5
SCHEMBL10564272 0.88 GRB2 (0.49) GRB2SLC7A5DPP4FAPDPP8
SCHEMBL6666822 0.86 SLC7A5 (0.45) GRB2SLC7A5DPP4DPP8DPP9
SCHEMBL7464405 0.86 SLC7A5 (0.57) SLC7A5ERAP2
SCHEMBL6957067 0.86 ACACB (0.49) TP53TSHRACACBGRB2DPP4
SCHEMBL594571 0.86 SLC7A5 (0.57) SLC7A5ERAP2
SCHEMBL630703 0.86 SLC7A5 (0.57) SLC7A5ERAP2
SCHEMBL17978114 0.86 SLC7A5 (0.45) ACACBGRB2SLC7A5DPP4FAP
SCHEMBL3203564 0.86 SLC7A5 (0.45) GRB2SLC7A5DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849018-B Piperazine derivatives 安斯泰来制药株式会社 2021-02-23 CN disclosed
EP-3333165-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2019-09-18 EP disclosed
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 US disclosed
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 US disclosed
EP-3333165-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2018-06-13 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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 (2 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 TP53 2642/4885TSHR 1376/4885ACACB 1017/4885
US-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 TP53 3311/4885TSHR 728/4885ACACB 3317/4885

“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.