SCHEMBL18045305

SCHEMBL18045305

O=C1NC[C@H]2CCN(Cc3ccccc3)[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.41
▸ GBA1 P04062 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ACHE P22303 3/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 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
SCHEMBL18070760 1.00 PARP1 (0.41) PARP1GBA1SIGMAR1GSK3AGSK3B
SCHEMBL19990743 0.78 MAPT (0.42) PARP1GSK3AGSK3BALDH1A1L3MBTL1
SCHEMBL10455603 0.77 L3MBTL1 (0.44) GBA1SIGMAR1HTR1AALDH1A1GAA
SCHEMBL5937728 0.77 L3MBTL1 (0.44) GBA1SIGMAR1HTR1AALDH1A1GAA
SCHEMBL5937718 0.77 L3MBTL1 (0.44) GBA1SIGMAR1HTR1AALDH1A1GAA
SCHEMBL14063972 0.71 HDAC1 (0.47) SIGMAR1GAA
SCHEMBL652125 0.71 HTR1A (0.47) GBA1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL10078725 0.71 HTR1A (0.47) GBA1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL22605206 0.71 HTR1A (0.47) GBA1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL652126 0.71 HTR1A (0.47) GBA1SIGMAR1HTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268366-A1 (INDAZOL-4-YL)HEXAHYDROPYRROLOPYRROLONES AND METHOD OF USE AbbVie Inc. (US) 2018-01-17 — — EP disclosed
US-9682985-B2 (Indazol-4-yl) hexahydropyrrolopyrrolones and methods of use ABBVIE INC. (US) 2017-06-20 — — US disclosed
WO-2016149169-A1 (INDAZOL-4-YL)HEXAHYDROPYRROLOPYRROLONES AND METHOD OF USE ABBVIE INC. (US) 2016-09-22 — — WO disclosed
US-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use ABBVIE INC. (US) 2016-09-15 — — 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-20160264582-A1 (Indazol-4-YL) Hexahydropyrrolopyrrolones and Methods of Use CACNA1D, CACNA1S, KCNJ11 PARP1 3400/4885GBA1 210/4885SIGMAR1 2061/4885

“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.

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