SCHEMBL24287974

SCHEMBL24287974

CN(C(=O)OCc1c(-c2ccc(Br)c(F)c2)ncn1C)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 3/20 0.43
▸ ABCB11 O95342 1/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ HTR2A P28223 8/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 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
SCHEMBL24043016 0.90 SLCO1B1 (0.44) SLCO1B1ABCB11PDE3BPDE3AHTR2A
SCHEMBL22230632 0.88 SLCO1B1 (0.49) SLCO1B1ABCB11NPC1LMNANPSR1
SCHEMBL22230661 0.84 SLCO1B1 (0.50) SLCO1B1ABCB11PDE3BPDE3ACNR1
SCHEMBL22256932 0.81 SLCO1B1 (0.43) SLCO1B1ABCB11NPC1
SCHEMBL22230622 0.81 SLCO1B1 (0.37) SLCO1B1ABCB11NPC1EP300LMNA
SCHEMBL29460168 0.81 SLCO1B1 (0.59) SLCO1B1ABCB11
SCHEMBL22256696 0.81 SLCO1B1 (0.59) SLCO1B1ABCB11
SCHEMBL22256960 0.80 SLCO1B1 (0.43) SLCO1B1ABCB11NPC1LMNANPSR1
SCHEMBL22230718 0.78 SLCO1B1 (0.50) SLCO1B1ABCB11NPC1LMNANPSR1
SCHEMBL22256698 0.78 SLCO1B1 (0.48) SLCO1B1ABCB11HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 — — US 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 (1 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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 SLCO1B1 3685/4885ABCB11 3552/4885NPC1 520/4885

“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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