SCHEMBL22729471

SCHEMBL22729471

C#CCNc1ccccc1OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR4 O95977 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
SCHEMBL12017388 0.78 APP (0.50) MRGPRX1L3MBTL1KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL28062296 0.77 APP (0.49) MRGPRX1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL22729539 0.76 CHRM2 (0.53) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7723877 0.76 MRGPRX1 (0.40) MRGPRX1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL7733793 0.76 KDM4E (0.43) MRGPRX1L3MBTL1KDM4EPOLBMEN1
SCHEMBL23144402 0.76 LRRK2 (0.44) MRGPRX1ALDH1A1LMNASMN1; SMN2
SCHEMBL22593391 0.75 MRGPRX1 (0.43) MRGPRX1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL18884397 0.75 L3MBTL1 (0.48) MRGPRX1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL30871188 0.74 ALDH1A1 (0.48) MRGPRX1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL10533927 0.73 L3MBTL1 (0.52) MRGPRX1L3MBTL1KDM4EPOLBALDH1A1

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 3 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
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 MRGPRX1 1077/4885L3MBTL1 1536/4885KDM4E 1315/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MRGPRX1 1128/4885L3MBTL1 1525/4885KDM4E 1270/4885

“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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