SCHEMBL20669337

SCHEMBL20669337

C[C@H](NC1(C(=O)O)CC2(CCNCC2)C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 4/20 0.42
USP2 O75604 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.36
APAF1 O14727 1/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20669103 1.00 CYP1A2 (0.42) CYP1A2CYP2D6USP2CYP3A4CYP2C9
SCHEMBL21981366 0.88 OPRM1 (0.41) CYP1A2CYP2D6USP2CYP3A4CYP2C9
SCHEMBL20669107 0.88 OPRM1 (0.41) CYP1A2CYP2D6USP2CYP3A4CYP2C9
SCHEMBL3259891 0.78 LMNA (0.51) USP2RECQLLMNAHPGDALOX15
SCHEMBL3259889 0.78 LMNA (0.51) USP2RECQLLMNAHPGDALOX15
SCHEMBL21981431 0.75 ATM (0.51) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL20669335 0.75 ATM (0.51) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL1587083 0.69 CYP3A4 (0.39) CYP1A2CYP2D6USP2CYP3A4CYP2C9
SCHEMBL3100018 0.69 ALDH1A1 (0.53) RECQLLMNAHPGDTP53TDP1
SCHEMBL17389454 0.67 HPGD (0.78) USP2RECQLLMNAHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 CYP1A2 1922/4885CYP2D6 1264/4885USP2 3079/4885
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof VIP, NPPA, GRPR CYP1A2 1922/4885CYP2D6 1264/4885USP2 3079/4885

“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.