SCHEMBL21060650

SCHEMBL21060650

COc1ccc(Cn2ncc3cc(I)ccc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.47
GRIN2B Q13224 4/20 0.47
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
ERBB2 P04626 3/20 0.39
SMO Q99835 1/20 0.39
TSPO P30536 1/20 0.38
RECQL P46063 1/20 0.38
CYP11B1 P15538 1/20 0.37
CSF1R P07333 1/20 0.36
SLC2A1 P11166 1/20 0.36
EGFR P00533 2/20 0.36
TRPV6 Q9H1D0 1/20 0.35
ERCC5 P28715 1/20 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
SCHEMBL21060673 0.84 LOX (0.43) GRIN1GRIN2BQPCTQPCTLERBB2
SCHEMBL2443709 0.83 NPBWR1 (0.47) GRIN1GRIN2BQPCTQPCTLRECQL
SCHEMBL21058132 0.76 RECQL (0.46) ERBB2RECQLEGFR
SCHEMBL17630160 0.75 SMO (0.53) SMOCYP11B1
SCHEMBL25468396 0.72 TDP1 (0.57)
SCHEMBL30376204 0.72 TDP1 (0.57)
SCHEMBL21060715 0.72 BRD4 (0.39) QPCTQPCTLRECQL
SCHEMBL27787592 0.72 RECQL (0.46) ERBB2RECQLEGFR
SCHEMBL25180541 0.71 ROCK2 (0.44) GRIN1GRIN2BCYP11B1ERCC5
SCHEMBL30375071 0.71 ROCK2 (0.44) GRIN1GRIN2BCYP11B1ERCC5

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 GRIN1 34/4885GRIN2B 63/4885QPCT 457/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 GRIN1 34/4885GRIN2B 63/4885QPCT 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.