SCHEMBL22627224

SCHEMBL22627224

C[C@@H]1C[C@H](N)CN(CC(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL22627228 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1HTR2CMEN1
SCHEMBL21397345 0.91 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1HTR2CMEN1
SCHEMBL24943926 0.81 KDM4E (0.50) ALDH1A1MAPK1L3MBTL1HTR2CMEN1
SCHEMBL23027037 0.81 LTA4H (0.48) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL22280532 0.81 LTA4H (0.48) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL2378732 0.80 SMN1; SMN2 (0.52) ALDH1A1HTR2CMEN1KMT2ACYP2C19
SCHEMBL23186133 0.80 SMN1; SMN2 (0.52) ALDH1A1HTR2CMEN1KMT2ACYP2C19
SCHEMBL13330343 0.80 SMN1; SMN2 (0.52) ALDH1A1HTR2CMEN1KMT2ACYP2C19
SCHEMBL2379232 0.80 SMN1; SMN2 (0.52) ALDH1A1HTR2CMEN1KMT2ACYP2C19
SCHEMBL28429589 0.80 SMN1; SMN2 (0.52) ALDH1A1HTR2CMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-11-05 — — 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-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1556/4885MAPK1 139/4885L3MBTL1 4310/4885

“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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