SCHEMBL17202038

SCHEMBL17202038

O=C(O)C1(c2ccc(Cl)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
PTK2 Q05397 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
MAP4K4 O95819 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SORT1 Q99523 1/20 0.38
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.37
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37

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
SCHEMBL28590075 0.93 MAP4K4 (0.46) L3MBTL1PTK2OPRM1OPRL1MAP4K4
SCHEMBL29886318 0.93 MAP4K4 (0.46) L3MBTL1PTK2OPRM1OPRL1MAP4K4
Hydrochloric Acid SCHEMBL28600379 0.92 MAP4K4 (0.45) L3MBTL1PTK2OPRM1OPRL1MAP4K4
SCHEMBL16573736 0.80 PTK2 (0.45) L3MBTL1PTK2OPRM1OPRL1LMNA
SCHEMBL17018563 0.80 PTK2 (0.42) L3MBTL1PTK2OPRM1OPRL1TDP1
SCHEMBL28600377 0.79 L3MBTL1 (0.42) L3MBTL1PTK2OPRM1OPRL1MAP4K4
SCHEMBL29886419 0.79 L3MBTL1 (0.42) L3MBTL1PTK2OPRM1OPRL1MAP4K4
SCHEMBL1759727 0.79 APP (0.40) OPRM1OPRL1
SCHEMBL5526276 0.79 ALDH1A1 (0.47) OPRM1OPRL1KMT2AMEN1NPSR1
SCHEMBL30239786 0.76 SIRT6 (0.40) L3MBTL1MAP4K4KMT2AMEN1LMNA

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
US-9409882-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-9409882-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-9409882-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US disclosed
US-20150307472-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307472-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307472-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-10-29 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-20150307472-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, ADORA1, COX6A1 L3MBTL1 3977/4885PTK2 3802/4885OPRM1 410/4885

“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.