SCHEMBL16437243

SCHEMBL16437243

COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR1A P08908 1/20 0.39
TBK1 Q9UHD2 4/20 0.39
JAK2 O60674 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL16437241 0.87 SMPD3 (0.36) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL16437283 0.86 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL25678730 0.84 FGFR3 (0.47) SMN1; SMN2ALDH1A1DRD2DRD3ADRA1D
SCHEMBL16440187 0.83 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1DRD2DRD3
SCHEMBL25678780 0.82 FLT3 (0.42) ALDH1A1DRD3ADRA1DADRA1AADRA1B
SCHEMBL20934843 0.82 DRD2 (0.48) ALDH1A1DRD2DRD3ADRA1DADRA1A
SCHEMBL15540550 0.82 NR4A1 (0.46) SMN1; SMN2ALDH1A1DRD2DRD3ADRA1D
SCHEMBL16437233 0.81 MEN1 (0.35) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL25678778 0.81 FGFR3 (0.49) SMN1; SMN2ALDH1A1DRD2DRD3
SCHEMBL13624056 0.81 TNIK (0.47) SMN1; SMN2MEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN SMN1; SMN2 3200/4885MEN1 3234/4885KMT2A 850/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN SMN1; SMN2 3271/4885MEN1 3190/4885KMT2A 930/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN SMN1; SMN2 3271/4885MEN1 3190/4885KMT2A 930/4885

“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.