SCHEMBL18376154

SCHEMBL18376154

Cc1cn(CCCN(C)C)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
DPP4 P27487 1/20 0.38
TERT O14746 1/20 0.35
CYP2D6 P10635 4/20 0.35
HDAC3 O15379 5/20 0.34
HDAC4 P56524 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34
SMPD1 P17405 5/20 0.33
SLC22A1 O15245 2/20 0.33
PRNP P04156 2/20 0.33

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
SCHEMBL18377854 0.89 DPP4 (0.40) DRD2DRD4DRD3DPP4HTR2A
SCHEMBL13469511 0.82 SMPD1 (0.44) DRD2DRD4DRD3DPP4HDAC3
SCHEMBL2934464 0.79 SMPD1 (0.45) DRD2DRD4DRD3DPP4SMPD1
SCHEMBL18367627 0.77 HRH4 (0.52) DPP4TERTHDAC3HDAC4HDAC1
SCHEMBL16526395 0.77 SMPD1 (0.51) DRD2DRD4DRD3SMPD1
SCHEMBL19020573 0.77 GBA1 (0.41) DRD2DRD4DRD3DPP4HDAC3
SCHEMBL25831178 0.77 DPP4 (0.47) DRD2DRD4DRD3DPP4HDAC3
SCHEMBL12386625 0.77 DPP4 (0.43) DRD2DRD4DRD3DPP4HDAC3
SCHEMBL14289745 0.76 SMPD1 (0.54) DRD2DRD4DRD3SMPD1
SCHEMBL16263567 0.76 SMPD1 (0.54) DRD2DRD4DRD3SMPD1

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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS DRD2 4763/4885DRD4 4722/4885DRD3 4806/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS DRD2 4763/4885DRD4 4722/4885DRD3 4806/4885

“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.