SCHEMBL19385773

SCHEMBL19385773

NC1(c2ncccn2)CC(OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EPHX2 P34913 1/20 0.36
IDO1 P14902 1/20 0.36
POLB P06746 1/20 0.35
NAAA Q02083 1/20 0.35
AGXT P21549 1/20 0.35
MAOA P21397 3/20 0.35

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
Hydrochloric Acid SCHEMBL19385723 0.98 DPP4 (0.43) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL19385839 0.83 DPP4 (0.39) DPP4CTSLCTSBCTSKOPRM1
Hydrochloric Acid SCHEMBL19385922 0.82 DPP4 (0.39) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL16700989 0.77 OPRM1 (0.49) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL18506691 0.76 DPP4 (0.55) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL446738 0.75 OPRM1 (0.41) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL446380 0.75 CTSL (0.39) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL22594119 0.74 OPRM1 (0.53) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL18544430 0.74 DPP4 (0.47) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL16399329 0.74 DPP4 (0.47) DPP4CTSLCTSBCTSKOPRM1

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
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 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-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 DPP4 1390/4885CTSL 1546/4885CTSB 1887/4885
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C HAVCR2, UGT2B7, GOT1 DPP4 1390/4885CTSL 1546/4885CTSB 1887/4885

“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.