SCHEMBL29890838

SCHEMBL29890838

CN(Cc1cc(O)cc(-c2cc(Cl)cc(Cl)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
SLC6A4 P31645 4/20 0.38
MCHR1 Q99705 1/20 0.38
TACR1 P25103 1/20 0.37
AOC3 Q16853 3/20 0.37
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
HSD17B1 P14061 4/20 0.34
HSD17B2 P37059 4/20 0.34
RIPK1 Q13546 1/20 0.34
CNR2 P34972 1/20 0.34
APP P05067 1/20 0.34
GLS O94925 1/20 0.34
HTR2A P28223 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
SCHEMBL30931825 1.00 HTR2C (0.38) HTR2CSLC6A4MCHR1TACR1AOC3
SCHEMBL18327668 0.89 HTR2C (0.41) HTR2CSLC6A4MCHR1TACR1AOC3
SCHEMBL18327669 0.81 RIPK1 (0.40) HTR2CSLC6A4MCHR1TACR1CACNA1G
SCHEMBL30931859 0.81 HDAC1 (0.35) CNR2APP
SCHEMBL21553770 0.81 HDAC1 (0.35) CNR2APP
SCHEMBL21551409 0.81 TACR1 (0.45) TACR1AOC3HSD17B1HSD17B2
SCHEMBL18325643 0.80 HTR2C (0.39) HTR2CSLC6A4TACR1CACNA1GCACNA1B
SCHEMBL18327666 0.79 CALM1 (0.46) HTR2CSLC6A4TACR1CACNA1GCACNA1B
SCHEMBL18325638 0.75 HSD17B1 (0.38) HTR2CSLC6A4TACR1CACNA1GCACNA1B
SCHEMBL18325644 0.75 HTR2C (0.36) HTR2CSLC6A4MCHR1TACR1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 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-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 HTR2C 4839/4885SLC6A4 4843/4885MCHR1 2272/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 HTR2C 4839/4885SLC6A4 4843/4885MCHR1 2272/4885

“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.