SCHEMBL22729501

SCHEMBL22729501

COc1ccccc1-n1ccc2c(c(C(=O)Nc3ccc(OCC(F)(F)F)nc3)cn2C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 2/20 0.49
▸ TRPV1 Q8NER1 1/20 0.44
▸ HTR2C P28335 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ S1PR1 P21453 8/20 0.41
▸ S1PR3 Q99500 6/20 0.40
▸ BRPF1 P55201 1/20 0.39
▸ ADRA2B P18089 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL29839363 1.00 UGCG (0.49) UGCGTRPV1HTR2CKDM4EUSP2
SCHEMBL22755194 0.84 UGCG (0.49) UGCGTRPV1HTR2CKDM4EUSP2
SCHEMBL22729398 0.79 UGCG (0.53) UGCGUSP2BRPF1MAPT
SCHEMBL29839386 0.79 UGCG (0.53) UGCGUSP2BRPF1MAPT
SCHEMBL29907619 0.79 UGCG (0.72) UGCGTRPV1
SCHEMBL29907440 0.78 UGCG (0.71) UGCGTRPV1KDM4EUSP2LMNA
SCHEMBL22729704 0.77 TRPV1 (0.42) TRPV1HTR2CS1PR1S1PR3
SCHEMBL29907481 0.77 UGCG (0.58) UGCGTRPV1KDM4EUSP2LMNA
SCHEMBL22729649 0.76 KMT2A (0.54) KDM4ELMNATSHRBRPF1MAPT
SCHEMBL29839305 0.76 KMT2A (0.54) KDM4ELMNATSHRBRPF1MAPT

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 UGCG 8/4885TRPV1 1610/4885HTR2C 3346/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC UGCG 8/4885TRPV1 1682/4885HTR2C 3410/4885

“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.

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