SCHEMBL11934751

SCHEMBL11934751

NC1CCC(CNc2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.42
PTGER4 P35408 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
AGER Q15109 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
FPR2 P25090 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
FPR3 P25089 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL13438637 1.00 PRKCQ (0.42) PRKCQPTGER4KDM1AMAOAMAOB
SCHEMBL3717751 0.91 RAB9A (0.44) PTGER4NPC1RAB9AKMT2AHDAC3
SCHEMBL11934756 0.84 PTGER4 (0.38) PRKCQPTGER4MAOAMAOBRAB9A
SCHEMBL13438646 0.84 PTGER4 (0.38) PRKCQPTGER4MAOAMAOBRAB9A
SCHEMBL16823551 0.83 RAB9A (0.50) PTGER4NPC1RAB9AKMT2AHDAC3
SCHEMBL11934730 0.82 MERTK (0.44) PRKCQCARM1PRMT6BACE1
SCHEMBL11935254 0.82 CARM1 (0.35) PRKCQPTGER4NPC1RAB9ACARM1
SCHEMBL13438630 0.82 CARM1 (0.35) PRKCQPTGER4NPC1RAB9ACARM1
SCHEMBL13438939 0.82 CARM1 (0.35) PRKCQPTGER4NPC1RAB9ACARM1
SCHEMBL11934740 0.82 CARM1 (0.35) PRKCQPTGER4NPC1RAB9ACARM1

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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R PRKCQ 3402/4885PTGER4 935/4885KDM1A 1559/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PRKCQ 3365/4885PTGER4 1717/4885KDM1A 1413/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PRKCQ 2584/4885PTGER4 717/4885KDM1A 2257/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PRKCQ 3368/4885PTGER4 1778/4885KDM1A 1219/4885

“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.