SCHEMBL20669335

SCHEMBL20669335

C[C@H](NC1(C(=O)O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
TSHR P16473 5/20 0.48
ALOX15 P16050 1/20 0.48
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 4/20 0.46
CYP1A2 P05177 1/20 0.43
GLS O94925 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
SCD5 Q86SK9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 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
SCHEMBL21981431 1.00 ATM (0.51) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL21981347 0.92 ATM (0.49) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL20669106 0.92 ATM (0.49) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL21981444 0.85 ATM (0.49) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL20669105 0.85 ATM (0.49) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL22080056 0.76 TSHR (0.58) ATMTSHRALOX15CYP3A4CYP2D6
SCHEMBL20669337 0.75 CYP1A2 (0.42) ALOX15CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20669103 0.75 CYP1A2 (0.42) ALOX15CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17140845 0.74 GPR119 (0.51) ATMTSHRALOX15CYP3A4CYP2C19
SCHEMBL20669329 0.73 ATM (0.50) ATMTSHRALOX15CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110637025-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2023-07-18 CN disclosed
EP-3656782-B1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2021-12-22 EP disclosed
EP-3656782-B1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2021-12-22 EP disclosed
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-05-25 US disclosed
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-05-25 US disclosed
US-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-06-04 US disclosed
US-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-06-04 US disclosed
EP-3656782-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2020-05-27 EP disclosed
EP-3656782-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2020-05-27 EP disclosed
WO-2019015644-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2019-01-24 WO disclosed
US-9422295-B2 Deuterated ibrutinib CONCERT PHARMACEUTICALS, INC. (US) 2016-08-23 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 (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-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF VIP, NPPA, GRPR ATM 4100/4885TSHR 1484/4885ALOX15 1608/4885
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof VIP, NPPA, GRPR ATM 4100/4885TSHR 1484/4885ALOX15 1608/4885

“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.