SCHEMBL23362148

SCHEMBL23362148

O=CN1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.68
▸ MAPK1 P28482 3/20 0.65
▸ MAPT P10636 2/20 0.60
▸ DRD2 P14416 3/20 0.51
▸ DRD3 P35462 3/20 0.51
▸ ADRA2A P08913 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL30058841 1.00 ADRB2 (0.68) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL5310874 0.85 MAPK1 (0.69) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL6125222 0.84 ADRB2 (0.72) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL6595059 0.82 ADRB2 (0.73) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL2711296 0.81 ADRB2 (1.00) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL30058924 0.81 ADRB2 (1.00) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL3863739 0.81 NCF1 (0.70) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL23362808 0.81 MAPK1 (0.82) ADRB2MAPK1MAPTDRD2DRD3
SCHEMBL23373387 0.80 NCF1 (0.69) ADRB2MAPK1MAPTMEN1KMT2A
SCHEMBL895026 0.79 ADRB2 (0.64) ADRB2MAPK1MAPTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF MBD CO., LTD (KR) 2022-12-22 — — US claimed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 — — WO claimed
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF MBD CO., LTD (KR) 2022-12-22 — — US disclosed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 — — WO disclosed
WO-2021096335-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF 엠비디 주식회사 2021-05-20 — — WO disclosed
WO-2021096335-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF 엠비디 주식회사 2021-05-20 — — WO 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-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF CYP4A11, CYP4B1, CYP4A22 ADRB2 1242/4885MAPK1 1610/4885MAPT 3286/4885

“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.

Send feedback