SCHEMBL29774271

SCHEMBL29774271

CCOC(=O)C1CCN(C(=O)/C=C/CN(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.55
ALDH1A1 P00352 6/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL29774282 0.86 HTT (0.58) MAPTSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL29774275 0.81 PARP14 (0.48) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16527457 0.80 NPC1 (0.55) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15360176 0.80 NPC1 (0.55) MAPTNPC1RAB9ASMN1; SMN2KDM4E
Lithium Ion SCHEMBL29774315 0.78 CA12 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMEN1
Lithium Ion SCHEMBL29774314 0.78 CA12 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6499004 0.78 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18909694 0.78 BTK (0.39) MAPTKDM4EGAA
SCHEMBL29774313 0.78 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL462207 0.77 ALDH1A1 (0.44) NPC1GAAALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 EP disclosed
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase UNIV NOTTINGHAM (GB) 2022-08-09 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-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 MAPT 1140/4885NPC1 4166/4885RAB9A 3423/4885

“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.