SCHEMBL22576366

SCHEMBL22576366

CC(C)Cn1ncc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
ACHE P22303 2/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL11991396 0.77 TOP2A (0.42) TOP2AACHECNR1CNR2TRPV1
SCHEMBL17627089 0.72
SCHEMBL24665880 0.72 TOP2A (0.39) TOP2AACHECNR1CNR2TRPV1
SCHEMBL24949705 0.71 TOP2A (0.38) TOP2AACHE
SCHEMBL24863309 0.68 CACNA1H (0.36) TOP2A
SCHEMBL23404192 0.68 TOP2A (0.39) TOP2AACHEALDH1A1
SCHEMBL2889999 0.67
SCHEMBL10741944 0.66 JAK2 (0.36)
SCHEMBL10562670 0.64 JAK2 (0.37)
SCHEMBL2608932 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728224-B1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-01-11 EP disclosed
EP-3728224-B1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-01-11 EP disclosed
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 US disclosed
US-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 US disclosed
US-20210163470-A1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163470-A1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3728224-A1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 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 (2 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-11319315-B2 Cyclohexyl acid triazole azoles as LPA antagonists LPAR3, LPAR1, LPAR2 TOP2A 2949/4885ACHE 3494/4885CNR1 59/4885
US-20210163470-A1 CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 TOP2A 2949/4885ACHE 3494/4885CNR1 59/4885

“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.