SCHEMBL22729680

SCHEMBL22729680

Cc1cn(C)c(=O)c2c(C(=O)NC3CC(c4ccccc4)C3)cn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.43
TAF1 P21675 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
TNKS O95271 1/20 0.37
BRD4 O60885 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR3A P46098 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22729447 0.92 LIPG (0.45) LIPGNPC1RAB9AALDH1A1CNR1
SCHEMBL22729690 0.92 LIPG (0.45) LIPGNPC1RAB9AALDH1A1CNR1
SCHEMBL22729449 0.92 LIPG (0.45) LIPGNPC1RAB9AALDH1A1CNR1
SCHEMBL22729682 0.91 LIPG (0.53) LIPGTAF1CECR2BRD9TNKS
SCHEMBL22755024 0.84 LIPG (0.40) LIPGTAF1CECR2BRD9TNKS
SCHEMBL22729552 0.82 TAF1 (0.44) TAF1CECR2BRD9NPC1RAB9A
SCHEMBL23139743 0.81 TAS1R3 (0.39) NPC1RAB9APOLB
SCHEMBL22729570 0.81 TAS1R3 (0.39) NPC1RAB9APOLB
SCHEMBL22729495 0.81 TAS1R3 (0.41) NPC1RAB9AALDH1A1CNR1CNR2
SCHEMBL22729622 0.81 TAS1R3 (0.41) NPC1RAB9AALDH1A1CNR1CNR2

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 LIPG 147/4885TAF1 3412/4885CECR2 1109/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC LIPG 148/4885TAF1 3452/4885CECR2 1083/4885

“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.