SCHEMBL15037422

SCHEMBL15037422

NC1CCN(Cc2ccc(OCC(=O)O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
ACHE P22303 6/20 0.53
FAAH O00519 5/20 0.53
BCHE P06276 3/20 0.53
S1PR5 Q9H228 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
ADIPOR2 Q86V24 1/20 0.50
ADIPOR1 Q96A54 1/20 0.50
HRH2 P25021 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
TBXAS1 P24557 1/20 0.48

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
SCHEMBL12965909 0.86 ACHE (0.57) POLBRAB9ANPC1ACHEFAAH
SCHEMBL14032560 0.86 HRH3 (0.56) POLBRAB9ANPC1ACHEFAAH
SCHEMBL15033033 0.85 FAAH (0.52) POLBRAB9ANPC1ACHEFAAH
SCHEMBL14032652 0.84 FAAH (0.57) POLBRAB9AACHEFAAHBCHE
SCHEMBL19190328 0.83 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14032557 0.81 HRH3 (0.58) POLBRAB9AACHEFAAHBCHE
SCHEMBL19190327 0.81 POLB (0.54) POLBACHEFAAHBCHES1PR5
SCHEMBL28667789 0.80 HRH3 (0.55) RAB9ANPC1ACHES1PR5HRH3
SCHEMBL23775592 0.80 RAB9A (0.58) RAB9ANPC1ACHES1PR5HRH3
SCHEMBL15400302 0.80 SIGMAR1 (0.54) ACHEFAAHHRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 POLB 3779/4885RAB9A 4096/4885NPC1 958/4885

“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.