SCHEMBL22729690

SCHEMBL22729690

Cc1cn(C)c(=O)c2c(C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)cn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RIPK1 Q13546 3/20 0.39
CNR1 P21554 5/20 0.38
CNR2 P34972 5/20 0.38
SETD2 Q9BYW2 1/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37

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 1.00 LIPG (0.45) LIPGNPC1RAB9AALDH1A1PTGDR2
SCHEMBL22729449 1.00 LIPG (0.45) LIPGNPC1RAB9AALDH1A1PTGDR2
SCHEMBL22729680 0.92 LIPG (0.43) LIPGNPC1RAB9AALDH1A1CNR1
SCHEMBL22729682 0.88 LIPG (0.53) LIPGALDH1A1
SCHEMBL22755111 0.86 LIPG (0.43) LIPGNPC1RAB9APTGDR2RIPK1
SCHEMBL22755247 0.86 LIPG (0.43) LIPGNPC1RAB9APTGDR2RIPK1
SCHEMBL22729639 0.84 ALDH1A1 (0.39) NPC1RAB9AALDH1A1CNR1CNR2
SCHEMBL23139743 0.82 TAS1R3 (0.39) NPC1RAB9A
SCHEMBL22729570 0.82 TAS1R3 (0.39) NPC1RAB9A
SCHEMBL22729738 0.82 TAS1R3 (0.39) NPC1RAB9A

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 147/4885NPC1 52/4885RAB9A 239/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC LIPG 148/4885NPC1 53/4885RAB9A 239/4885

“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.