SCHEMBL20669355

SCHEMBL20669355

CC(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCNCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
KMT2A Q03164 1/20 0.36
PREP P48147 1/20 0.36
CTSL P07711 3/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
GLA P06280 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP2D6 P10635 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL20669168 1.00 CYP1A2 (0.43) CYP1A2CA1CA2CA7HRH2
SCHEMBL21981481 0.83 CYP2C9 (0.40) CYP1A2CA1CA2CA7HRH2
SCHEMBL21981480 0.83 CYP2C9 (0.40) CYP1A2CA1CA2CA7HRH2
SCHEMBL14718514 0.81 HRH2 (0.43) CA1CA2CA7HRH2HRH1
SCHEMBL7787544 0.81 HRH2 (0.43) CA1CA2CA7HRH2HRH1
SCHEMBL14737817 0.80 CA1 (0.41) CA1CA2CA7HRH2HRH1
SCHEMBL18212464 0.78 CYP2C9 (0.44) CYP1A2CA1CA2CA7HRH2
SCHEMBL20669338 0.78 KMT2A (0.54) HRH2HRH1KMT2ACTSLCTSB
SCHEMBL18212467 0.77 CYP1A2 (0.43) CYP1A2CA1CA2CA7HRH2
SCHEMBL30644499 0.77 CA1 (0.40) CA1CA2CA7HRH2HRH1

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 6 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
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 1922/4885CA1 1174/4885CA2 2365/4885
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof VIP, NPPA, GRPR CYP1A2 1922/4885CA1 1174/4885CA2 2365/4885

“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.