SCHEMBL16440147

SCHEMBL16440147

COc1cc(C)ccc1N1CCC(N)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.47
DPP4 P27487 2/20 0.44
ADRA1D P25100 2/20 0.43
ADRA1B P35368 2/20 0.43
ADRA1A P35348 1/20 0.43
SUV39H2 Q9H5I1 8/20 0.41
ACHE P22303 1/20 0.41
KEAP1 Q14145 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALDH1A3 P47895 1/20 0.38
NTRK1 P04629 1/20 0.38
MAP4K1 Q92918 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL24123755 0.91 ALDH1A1 (0.43) SMPD3DPP4ADRA1ASUV39H2ACHE
SCHEMBL5395255 0.85 NR4A1 (0.49) SMPD3ADRA1DADRA1BADRA1ASUV39H2
SCHEMBL16440156 0.83 ALDH1A1 (0.44) DPP4ADRA1AACHEMEN1POLB
SCHEMBL15382192 0.82 SMPD3 (0.47) SMPD3DPP4SUV39H2ACHEKEAP1
SCHEMBL16437252 0.82 SMPD3 (0.42) SMPD3ADRA1DADRA1BADRA1ASUV39H2
SCHEMBL29994839 0.80 DRD2 (0.54) ADRA1DADRA1BADRA1AALDH1A1
SCHEMBL17376186 0.80 DRD2 (0.54) ADRA1DADRA1BADRA1AALDH1A1
SCHEMBL24123881 0.80 KCNH2 (0.43) DPP4SUV39H2ACHEKEAP1ALDH1A1
SCHEMBL13419301 0.79 ACACB (0.45) KMT2AALDH1A1HRH4
SCHEMBL12362773 0.79 ALDH1A1 (0.43) SMPD3SUV39H2ACHEKEAP1MEN1

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
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP 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 (2 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 SMPD3 701/4885DPP4 3377/4885ADRA1D 3304/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN SMPD3 689/4885DPP4 3370/4885ADRA1D 3418/4885

“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.