SCHEMBL22729767

SCHEMBL22729767

Cc1cn(C)c(=O)n2c(C(=O)NC(C)(C)c3ccc(Cl)cc3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.36
▸ B3GNT2 Q9NY97 1/20 0.36
▸ MAP3K5 Q99683 2/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ EGLN1 Q9GZT9 4/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL22729549 0.82 SCN9A (0.41) CNR1B3GNT2MAPK1LMNAKMT2A
SCHEMBL29839344 0.82 SCN9A (0.41) CNR1B3GNT2MAPK1LMNAKMT2A
SCHEMBL22729727 0.73 ALDH1A1 (0.32) MEN1LMNAKMT2AMAPT
SCHEMBL22729512 0.72 KDM4E (0.39) POLBMAPK1MEN1LMNAKMT2A
SCHEMBL22755193 0.70 NPC1 (0.47) CNR1CNR2POLBLMNANR3C1
SCHEMBL22729487 0.69 FPR2 (0.43) CNR1
SCHEMBL22729582 0.68 CNR1 (0.39) CNR1CNR2TRPV1B3GNT2MAP3K5
SCHEMBL22729614 0.67 CNR1 (0.39) CNR1CNR2TRPV1B3GNT2EGLN1
SCHEMBL22729506 0.67 MAPT (0.53) MAPK1LMNAMAPT
SCHEMBL22729606 0.66 BRD4 (0.49) POLBLMNAMAPT

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 CNR1 856/4885CNR2 801/4885TRPV1 1610/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CNR1 851/4885CNR2 804/4885TRPV1 1682/4885

“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.

Send feedback