SCHEMBL22729709

SCHEMBL22729709

Cc1cn(C)c(=O)c2c(C(=O)N[C@H]3CC[C@H](Oc4ccccc4)CC3)cn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
ALDH1A1 P00352 2/20 0.39
FAAH O00519 1/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
TAF1 P21675 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL22729712 1.00 EPHX2 (0.39) EPHX2ALDH1A1FAAHCNR1CNR2
SCHEMBL22729639 0.89 ALDH1A1 (0.39) EPHX2ALDH1A1CNR1CNR2TAF1
SCHEMBL23116402 0.86 EPHX2 (0.44) EPHX2ALDH1A1CNR1CNR2TAF1
SCHEMBL22729445 0.86 EPHX2 (0.44) EPHX2ALDH1A1CNR1CNR2TAF1
SCHEMBL22729822 0.85 ALDH1A1 (0.46) ALDH1A1CNR2TAF1CECR2BRD9
SCHEMBL22729682 0.85 LIPG (0.53) ALDH1A1TAF1CECR2BRD9LIPG
SCHEMBL22729684 0.82 SPR (0.44) EPHX2ALDH1A1KDM4EKMT2A
SCHEMBL22729552 0.82 TAF1 (0.44) EPHX2ALDH1A1CNR2TAF1CECR2
SCHEMBL22729800 0.81 ALDH1A1 (0.55) ALDH1A1CNR1CNR2NPC1RAB9A
SCHEMBL22729680 0.80 LIPG (0.43) ALDH1A1CNR1CNR2TAF1CECR2

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 EPHX2 2093/4885ALDH1A1 2626/4885FAAH 601/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC EPHX2 2011/4885ALDH1A1 2660/4885FAAH 581/4885

“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.