SCHEMBL21097121

SCHEMBL21097121

CC(C)[C@@H](C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
GAA P10253 2/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 4/20 0.46
MGLL Q99685 2/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.44
HSP90AA1 P07900 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL23922815 1.00 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL21098059 1.00 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL19457107 0.88 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL1059539 0.87 HTR2A (0.60) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2235343 0.85 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2235376 0.85 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2233306 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL27126 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL30871778 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL15459741 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1

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 10 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-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
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
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 (8 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-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 HTR2A 1343/4885GAA 2401/4885BCL9 3739/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 HTR2A 3305/4885GAA 294/4885BCL9 807/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885GAA 2401/4885BCL9 3739/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 HTR2A 3305/4885GAA 294/4885BCL9 807/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 HTR2A 1343/4885GAA 2401/4885BCL9 3739/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885GAA 2401/4885BCL9 3739/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885GAA 2401/4885BCL9 3739/4885
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTR2A 1343/4885GAA 2401/4885BCL9 3739/4885

“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.