SCHEMBL16440171

SCHEMBL16440171

COCCN1CCN(c2ccc(C)cc2OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.55
HTR2A P28223 7/20 0.55
HTR7 P34969 6/20 0.55
HTR1A P08908 4/20 0.55
ADRA1A P35348 4/20 0.55
HTR6 P50406 2/20 0.51
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD3 P35462 3/20 0.48
DRD4 P21917 2/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL16440200 0.85 DRD2 (0.50) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL10036403 0.84 DRD2 (0.49) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL16440177 0.84 DRD2 (0.50) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL8828454 0.83 DRD2 (0.56) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL16437254 0.82 DRD2 (0.49) DRD2HTR7HTR1AADRA1ADRD3
SCHEMBL12082468 0.82 DRD2 (0.62) DRD2HTR2AHTR7HTR1AADRA1A
SCHEMBL28710426 0.81 ALDH1A1 (0.67) DRD2HTR7HTR1AADRA1ADRD3
SCHEMBL20306332 0.79 DRD2 (0.47) DRD2HTR1AADRA1ADRD3DRD4
SCHEMBL25797045 0.79 ALDH1A1 (0.57) DRD2HTR2AHTR1AADRA1AMEN1
SCHEMBL17665083 0.79 KMT2A (0.50) DRD2HTR2AHTR7HTR1AADRA1A

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
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
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO 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 DRD2 3499/4885HTR2A 2789/4885HTR7 2822/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN DRD2 3702/4885HTR2A 2886/4885HTR7 2980/4885

“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.