SCHEMBL20669147

SCHEMBL20669147

CNC(=O)N1CCC2(CC1)CNC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CYP1A2 P05177 3/20 0.47
NAMPT P43490 3/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
HDAC2 Q92769 1/20 0.34
EPHX2 P34913 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL21981312 0.90 POLB (0.46) POLBCYP1A2NAMPTCYP2C9CYP2D6
SCHEMBL29985491 0.87 CYP1A2 (0.55) POLBCYP1A2NAMPTCYP2C9CYP2D6
SCHEMBL22359169 0.83 CYP1A2 (0.68) POLBCYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL20669176 0.81 HSD17B10 (0.51) POLBCYP1A2NAMPTCYP2D6CYP2C19
SCHEMBL22043622 0.81 HSD17B10 (0.51) POLBCYP1A2NAMPTCYP2D6CYP2C19
SCHEMBL10101683 0.80 POLB (0.48) POLBCYP1A2NAMPTCYP2D6HSD17B10
SCHEMBL994307 0.78 USP2 (0.47) CYP1A2CYP2C9CYP2D6CYP2C19HSD17B10
SCHEMBL16600524 0.77 CA2 (0.41) CYP1A2NAMPTCYP2D6HSD17B10ALDH1A1
SCHEMBL22359131 0.77 POLB (0.56) POLBCYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL16058241 0.77 CYP2C9 (0.56) CYP1A2CYP2C9CYP2D6CYP2C19HSD17B10

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 10 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
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
WO-2020167518-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-08-20 WO 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

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 POLB 4134/4885CYP1A2 1922/4885NAMPT 1511/4885
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof VIP, NPPA, GRPR POLB 4134/4885CYP1A2 1922/4885NAMPT 1511/4885

“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.