SCHEMBL21097209

SCHEMBL21097209

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.53
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ MGLL Q99685 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL21097178 0.86 HTR2A (0.55) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409598 0.85 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2597400 0.82 BCL9 (0.63) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL763025 0.82 HTR2A (0.57) HTR2ABCL9CTNNB1GAAMAPT
Hydrochloric Acid SCHEMBL30544551 0.81 BCL9 (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409084 0.81 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL4433836 0.81 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL1144551 0.81 MGLL (0.62) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL22959846 0.81 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL125510 0.81 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — 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
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 — — EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 — — 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 (6 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 1343/4885BCL9 3739/4885CTNNB1 2136/4885
US-10662172-B2 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-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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