SCHEMBL3436775

SCHEMBL3436775

COCCN(C)c1cc(C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
UHRF1 Q96T88 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
DGAT1 O75907 3/20 0.37
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 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
SCHEMBL15716814 0.82 LRRK2 (0.39) LRRK2GPBAR1DGAT1AOC3HRH4
SCHEMBL14376082 0.81 HRH3 (0.54) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL19159781 0.81 NOS3 (0.42) LRRK2GPBAR1DGAT1KDM4ENOS3
SCHEMBL9906946 0.79 POLB (0.54) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL15716608 0.78 LRRK2 (0.37) LRRK2GPBAR1DGAT1HRH3RAF1
SCHEMBL1256139 0.77 KDM4C (0.46) LRRK2GPBAR1DGAT1KDM4ERAF1
SCHEMBL12640111 0.77 AURKA (0.46) LRRK2GPBAR1DGAT1MEN1KMT2A
SCHEMBL13180386 0.77 CCR1 (0.50) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL10650948 0.77 HRH3 (0.58) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL15829834 0.77 NOS2 (0.44) UHRF1CCR1CCR5CCR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018059537-A1 DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF 四川海思科制药有限公司 2018-04-05 WO disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 LRRK2 2512/4885UHRF1 2517/4885CCR1 1934/4885

“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.