SCHEMBL21060673

SCHEMBL21060673

COc1cc(Cn2ncc3cc(I)ccc32)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
ERBB2 P04626 9/20 0.38
RECQL P46063 1/20 0.37
EGFR P00533 9/20 0.35
SLC2A1 P11166 1/20 0.35
MAPK1 P28482 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 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
SCHEMBL21060650 0.84 GRIN1 (0.47) QPCTQPCTLERBB2RECQLEGFR
SCHEMBL2443709 0.80 NPBWR1 (0.47) QPCTQPCTLRECQLGRIN1GRIN2B
SCHEMBL21058132 0.72 RECQL (0.46) ERBB2RECQLEGFR
SCHEMBL21058074 0.72 EGFR (0.50) ERBB2RECQLEGFRGRIN1GRIN2B
SCHEMBL21060789 0.72 RECQL (0.38) QPCTQPCTLERBB2RECQLEGFR
SCHEMBL384816 0.70 HTR2A (0.46) QPCTQPCTL
SCHEMBL30018490 0.69 MAP4K1 (0.40) QPCTQPCTLERBB2EGFRGRIN1
SCHEMBL21060715 0.69 BRD4 (0.39) QPCTQPCTLRECQL
SCHEMBL27787592 0.68 RECQL (0.46) ERBB2RECQLEGFREPHX2PPARG
SCHEMBL19654950 0.68 RECQL (0.47) ERBB2RECQLEGFRMAPK1GRIN1

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
EP-3728219-B1 SUBSTITUTED PYRROLIDINE AMIDES I GRUENENTHAL GMBH (DE) 2022-04-13 EP disclosed
EP-3728219-A1 SUBSTITUTED PYRROLIDINE AMIDES I Grünenthal GmbH (DE) 2020-10-28 EP disclosed
CN-111556867-A Substituted pyrrolidine amides I 格吕伦塔尔有限公司 2020-08-18 CN disclosed
US-10626106-B2 Substituted pyrrolidine amides I GRUENENTHAL GMBH (DE) 2020-04-21 US disclosed
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 US disclosed
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 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-10626106-B2 Substituted pyrrolidine amides I NR3C1, NR3C2, NR5A1 LOX 4363/4885LOXL2 4713/4885QPCT 457/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 LOX 4363/4885LOXL2 4713/4885QPCT 457/4885

“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.