SCHEMBL23922808

SCHEMBL23922808

CC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
GAA P10253 1/20 0.50
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.43
MGLL Q99685 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 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
SCHEMBL21098056 1.00 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL21097214 1.00 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL6820152 0.93 HTR2A (0.51) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL1059539 0.86 HTR2A (0.60) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL21097115 0.81 HTR2A (0.59) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL21098059 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL2233306 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL23922815 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL21097121 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A
SCHEMBL27126 0.81 HTR2A (0.54) HTR2AGAABCL9CTNNB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195444-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-14 US disclosed
WO-2024175925-A1 MC2R MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-08-29 WO 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

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-12195444-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.