SCHEMBL22901710

SCHEMBL22901710

c1ccc(CO[C@@H]2COC[C@H](OCc3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
DPP4 P27487 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
NAAA Q02083 4/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.39
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
CYP2C19 P33261 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38

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
SCHEMBL28421079 0.92 CTSL (0.51) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1558893 0.85 CTSL (0.49) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1560184 0.83 CTSL (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1560522 0.83 CTSL (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL11244939 0.81 CTSL (0.46) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL23294689 0.80 CTSL (0.45) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL21390327 0.80 CTSL (0.45) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1802575 0.80 CTSL (0.45) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2857446 0.80 CTSL (0.51) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL422307 0.80 CTSL (0.42) CTSLCTSBCTSKOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-01-21 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 (1 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-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OPRK1, OPRL1, KLKB1 CTSL 866/4885CTSB 751/4885CTSK 153/4885

“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.