SCHEMBL10146887

SCHEMBL10146887

CCOC(=O)c1cc2cccc(F)c2nc1[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1694817 1.00 ABCB1 (0.39) ABCB1AAK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10147129 0.88 MAPT (0.40) ABCB1AAK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10146874 0.87 MAPT (0.39) AAK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL1694878 0.87 MAPT (0.39) AAK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL1695142 0.85 ABCB1 (0.39) ABCB1ALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL10146918 0.81 TSHR (0.57) ABCB1ALDH1A1HPGDTSHR
SCHEMBL1694820 0.78 NQO2 (0.44) ALDH1A1SMN1; SMN2MEN1LMNAHPGD
SCHEMBL10147646 0.74 MAPT (0.39) AAK1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL1694884 0.74 MAPT (0.39) AAK1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL30682033 0.74 MAOA (0.49) ALDH1A1SMN1; SMN2MEN1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 ABCB1 757/4885AAK1 1238/4885ALDH1A1 3436/4885

“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.