SCHEMBL22729491

SCHEMBL22729491

Cc1cn(C)c(=O)c2c(C(=O)NC3CCCC(OCc4ccccc4)C3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.38
AGTR2 P50052 2/20 0.38
OPRK1 P41145 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
SCHEMBL22729445 0.89 EPHX2 (0.44) ALDH1A1MEN1KMT2ASGMS2CNR2
SCHEMBL23116402 0.89 EPHX2 (0.44) ALDH1A1MEN1KMT2ASGMS2CNR2
SCHEMBL22729639 0.87 ALDH1A1 (0.39) ALDH1A1CNR2CNR1BRD4
SCHEMBL22729633 0.86 ALDH1A1 (0.40) ALDH1A1CNR2CNR1
SCHEMBL22729630 0.86 ALDH1A1 (0.40) ALDH1A1CNR2CNR1
SCHEMBL22729696 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL22729661 0.85 CNR2 (0.42) ALDH1A1CNR2CNR1
SCHEMBL22729524 0.85 CNR2 (0.42) ALDH1A1CNR2CNR1
SCHEMBL22729662 0.85 CNR2 (0.42) ALDH1A1CNR2CNR1
SCHEMBL22729447 0.82 LIPG (0.45) ALDH1A1CNR2CNR1

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
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 2626/4885MEN1 1745/4885KMT2A 405/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885MEN1 1710/4885KMT2A 410/4885

“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.