SCHEMBL4828082

SCHEMBL4828082

C=Cc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
RAPGEF4 Q8WZA2 4/20 0.43
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
BRD4 O60885 1/20 0.41
HTR6 P50406 3/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL15091424 0.89 L3MBTL1 (0.59) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL1964662 0.87 CYP2C19 (0.57) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL15091841 0.84 L3MBTL1 (0.54) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL15091842 0.84 L3MBTL1 (0.54) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL3500880 0.84 L3MBTL1 (0.66) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL28458420 0.84 L3MBTL1 (0.51) L3MBTL1RAPGEF4PKMCYP2C19BRD4
SCHEMBL29842630 0.82 L3MBTL1 (0.52) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL29842808 0.82 L3MBTL1 (0.52) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL28455069 0.82 L3MBTL1 (0.52) L3MBTL1RAPGEF4PKMCYP2C19ALDH1A1
SCHEMBL12696586 0.81 L3MBTL1 (0.61) L3MBTL1RAPGEF4PKMCYP2C19BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 WO 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-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A L3MBTL1 4843/4885RAPGEF4 486/4885PKM 1874/4885
US-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 L3MBTL1 2938/4885RAPGEF4 1011/4885PKM 567/4885

“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.