SCHEMBL22256943

SCHEMBL22256943

CN(C(=O)OCc1c(-c2ccc(O)cn2)ncn1C)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 7/20 0.51
▸ ABCB11 O95342 3/20 0.51
▸ SIGMAR1 Q99720 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ABCC3 O15438 2/20 0.32
▸ ABCC4 O15439 2/20 0.32
▸ SLCO1B3 Q9NPD5 2/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TYR P14679 1/20 0.31

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
SCHEMBL22230718 0.90 SLCO1B1 (0.50) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL22257235 0.89 SLCO1B1 (0.44) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL22230661 0.86 SLCO1B1 (0.50) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL22230711 0.85 SLCO1B1 (0.44) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL19728904 0.85 SLCO1B1 (0.69) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL22256946 0.84 SLCO1B1 (0.45) SLCO1B1ABCB11PDE3BPDE3A
SCHEMBL22256960 0.82 SLCO1B1 (0.43) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL22256989 0.82 SLCO1B1 (0.49) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL22230632 0.80 SLCO1B1 (0.49) SLCO1B1ABCB11SIGMAR1PDE3BPDE3A
SCHEMBL24287924 0.80 ABCB11 (0.33) SLCO1B1ABCB11TYR

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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 — — US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 — — EP disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 — — WO 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 3552/4885SIGMAR1 1639/4885

“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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