SCHEMBL18787412

SCHEMBL18787412

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 1/20 0.65
▸ ME1 P48163 1/20 0.65
▸ ME3 Q16798 1/20 0.65
▸ MAPT P10636 2/20 0.62
▸ HRH3 Q9Y5N1 2/20 0.61
▸ HDAC4 P56524 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ KMT2A Q03164 2/20 0.58
▸ CNR1 P21554 3/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ FKBP1A P62942 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ EPHX2 P34913 1/20 0.51

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
SCHEMBL15317642 0.85 MAPT (0.62) MAPTHDAC4HDAC6KMT2AHTT
SCHEMBL4272470 0.83 HRH3 (0.63) ME2ME1ME3HRH3KMT2A
SCHEMBL22587840 0.82 HRH3 (0.61) ME2ME1ME3HRH3KMT2A
SCHEMBL17338907 0.81 HRH3 (0.64) MAPTHRH3HDAC4HDAC6KMT2A
SCHEMBL24352145 0.80 KMT2A (0.72) ME2ME1ME3MAPTKMT2A
SCHEMBL5257247 0.80 MAPT (0.68) MAPTHDAC4HDAC6KMT2AAKR1C3
SCHEMBL10174349 0.80 MAPT (0.68) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL2798761 0.80 L3MBTL1 (0.72) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL15650184 0.80 MAPT (0.68) MAPTHDAC4HDAC6KMT2AHTT
SCHEMBL22605639 0.79 HRH3 (0.62) ME2ME1ME3HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106470973-B Small molecule L FA-1 inhibitor 阿罗赛特制药公司 2020-08-04 — — CN disclosed
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2019-02-07 — — US disclosed
US-10077238-B2 Small molecule LFA-1 inhibitors ALLOCYTE PHARMACEUTICALS AG (CH) 2018-09-18 — — US disclosed
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 — — 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 (3 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-10077238-B2 Small molecule LFA-1 inhibitors ICAM1, VCAM1, ITGB1 ME2 4765/4885ME1 4461/4885ME3 4848/4885
US-20190040008-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ME2 4765/4885ME1 4461/4885ME3 4848/4885
US-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ME2 4765/4885ME1 4461/4885ME3 4848/4885

“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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