SCHEMBL21097178

SCHEMBL21097178

CC1(COC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.55
▸ BCL9 O00512 1/20 0.52
▸ CTNNB1 P35222 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ MGLL Q99685 2/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PKM P14618 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44

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
SCHEMBL21097209 0.86 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21097186 0.85 BCL9 (0.52) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21097090 0.82 BCL9 (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL21057984 0.82 BCL9 (0.50) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL18458400 0.82 HTR2A (0.49) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL18757959 0.82 HTR2A (0.49) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL29716167 0.82 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL278663 0.81 BCL9 (0.62) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL409598 0.81 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL29716157 0.81 HTR2A (0.48) HTR2ABCL9CTNNB1GAAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 — — US disclosed
US-12209072-B2 Cyclopentyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-28 — — US disclosed
US-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-14 — — US disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 — — US disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 — — US disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 — — US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — US disclosed
EP-3852746-B1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-29 — — EP disclosed
US-20220324829-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-10-13 — — US disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 — — US disclosed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP disclosed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP disclosed
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 — — US disclosed
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-14 — — US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 — — 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 (11 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-12209072-B2 Cyclopentyl acids as LPA antagonists LPAR1, LPAR5, LPAR2 HTR2A 486/4885BCL9 3125/4885CTNNB1 1065/4885
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 HTR2A 3305/4885BCL9 807/4885CTNNB1 1528/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 HTR2A 3305/4885BCL9 807/4885CTNNB1 1528/4885
US-20220324829-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885BCL9 3739/4885CTNNB1 2136/4885

“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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