SCHEMBL30007095

SCHEMBL30007095

CC(C)(C)OC(=O)Nc1ccc(Br)cc1OC1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.49
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
BACE1 P56817 1/20 0.39
PDE4B Q07343 1/20 0.39
LPAR1 Q92633 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL23958628 1.00 AAK1 (0.49) AAK1NPY1RNPY2RBACE1PDE4B
SCHEMBL30746576 0.85 LPAR1 (0.51) AAK1BACE1LPAR1NPC1RECQL
SCHEMBL2074231 0.85 LPAR1 (0.51) AAK1BACE1LPAR1NPC1RECQL
SCHEMBL23958622 0.82 PDE5A (0.43) PDE4B
SCHEMBL29182904 0.82 RORC (0.51) LPAR1SMN1; SMN2RORC
SCHEMBL6961002 0.82 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL25032352 0.81 PDE4B (0.37) AAK1BACE1PDE4BRORC
SCHEMBL30832694 0.81 PDE4B (0.37) AAK1BACE1PDE4BRORC
SCHEMBL25239977 0.81 HTT (0.40) AAK1LPAR1RORC
SCHEMBL24427621 0.79 IDH1 (0.48) AAK1NPC1RECQLRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE AAK1 2994/4885NPY1R 3324/4885NPY2R 3669/4885

“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.