SCHEMBL11544017

SCHEMBL11544017

Clc1ccc(Oc2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
KCNE1 P15382 1/20 0.56
KCNQ1 P51787 1/20 0.56
LTA4H P09960 8/20 0.50
TSHR P16473 1/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 2/20 0.43
PLA2G2A P14555 1/20 0.42

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
SCHEMBL31296163 0.87 CHRNA3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11551188 0.85 LTA4H (0.50) LTA4HMAOASCN9A
SCHEMBL3650668 0.82 MEN1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL17930598 0.82 NPSR1 (0.49) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL21186393 0.82 MAOA (0.57) LTA4HTSHRMAOAMEN1NPC1
SCHEMBL28438899 0.82 MEN1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1LTA4H
SCHEMBL11543800 0.81 CYP1A2 (0.50) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL28983375 0.81 NPC1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1LTA4H
SCHEMBL11547272 0.79 ALDH1A1 (0.47) KCNQ3KCNQ2KCNE1KCNQ1CYP11B1
SCHEMBL16344897 0.78 LTA4H (0.55) KCNQ3KCNQ2KCNE1KCNQ1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2021-11-23 US disclosed
EP-3039019-B1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-22 EP disclosed
US-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2018-05-17 US disclosed
US-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2018-05-17 US disclosed
US-9884865-B2 Azaspiro[4.5] decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-02-06 US disclosed
US-9884865-B2 Azaspiro[4.5] decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-02-06 US disclosed
US-20160207923-A1 AZASPIRO[4.5] DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2016-07-21 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
US-4179563-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1979-12-18 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-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF TRPV1, SCN5A, TRPA1 KCNQ3 148/4885KCNQ2 202/4885KCNE1 109/4885
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof TRPV1, SCN5A, TRPA1 KCNQ3 148/4885KCNQ2 202/4885KCNE1 109/4885
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HCRTR1, HCRTR2, RTN3 KCNQ3 1846/4885KCNQ2 3105/4885KCNE1 2462/4885
US-20160207923-A1 AZASPIRO[4.5] DECANE DERIVATIVES AND USE THEREOF TRPV1, SCN1A, SCN5A KCNQ3 134/4885KCNQ2 187/4885KCNE1 107/4885

“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.