SCHEMBL550024

SCHEMBL550024

[c]1cc2ccccc2c2c1CCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.37
ACHE P22303 6/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
ABCC4 O15439 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
APP P05067 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
SCHEMBL3226155 0.98 BCHE (0.35) BCHEACHECA1CA2ALDH1A1
SCHEMBL16766410 0.94 BCHE (0.35) BCHEACHECA1CA2ALDH1A1
SCHEMBL9986878 0.86 HSD17B10 (0.37) ACHEALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL28753848 0.67 KIF11 (0.47) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL551143 0.66 BCL2L1 (0.30)
SCHEMBL13726631 0.65 ALDH1A1 (0.41) BCHEACHEALDH1A1TSHRHSD17B10
SCHEMBL29372877 0.65 TRPM4 (0.52) BCHEACHEALDH1A1HSD17B10CYP1A2
SCHEMBL322439 0.64 KIF11 (0.49) ALDH1A1TSHRHSD17B10CYP1A2KDM4E
SCHEMBL29853815 0.64 KIF11 (0.49) ALDH1A1TSHRHSD17B10CYP1A2KDM4E
SCHEMBL8304317 0.64 NQO1 (0.31) ALDH1A1HSD17B10KDM4E

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof KIAKOS KONSTANTINOS (AT) 2024-04-23 US disclosed
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF KIAKOS KONSTANTINOS (AT) 2020-12-24 US disclosed
WO-2019097080-A9 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACITIVTY AND USES THEROF KIAKOS KONSTANTINOS (AT) 2020-10-15 WO disclosed
US-20200148646-A1 6-SUBSTITUTED AND 7-SUBSTITUTED MORPHINAN ANALOGS AND THE USE THEREOF PURDUE PHARMA LP (US) 2020-05-14 US disclosed
US-10550088-B2 6-substituted and 7-substituted morphinan analogs and the use thereof PURDUE PHARMA L.P. (US) 2020-02-04 US disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
EP-3087078-B1 7-BETA-ALKYL ANALOGS OF ORVINOLS PURDUE PHARMA LP (US) 2019-05-15 EP disclosed
EP-2951160-B1 BENZOMORPHAN ANALOGS AND THE USE THEREOF PURDUE PHARMA LP (US) 2019-04-24 EP disclosed
EP-2931729-B1 BUPRENORPHINE ANALOGS AS OPIOD RECEPTOR MODULATORS PURDUE PHARMA LP (US) 2019-02-06 EP disclosed
US-10138207-B2 Benzomorphan analogs and the use thereof PURDUE PHARMA, L.P. (US) 2018-11-27 US disclosed
WO-2012038813-A1 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2012-03-29 WO disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
US-8110602-B2 Compounds comprising heterocyclic-substituted piperidine for treating pain PURDUE PHARMA L.P. (US) 2012-02-07 US disclosed
EP-2397477-A1 Heterocyclic-substituted piperidine compounds and the uses thereof Purdue Pharma LP (US) 2011-12-21 EP disclosed
EP-2280008-A2 Heterocyclic-substituted piperidines as ORL-1 ligands Purdue Pharma L.P. (US) 2011-02-02 EP disclosed
EP-2076506-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2010-09-22 EP disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 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 (7 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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 BCHE 1388/4885ACHE 37/4885CA1 2729/4885
US-20200148646-A1 6-SUBSTITUTED AND 7-SUBSTITUTED MORPHINAN ANALOGS AND THE USE THEREOF OPRL1, OPRM1, OPRD1 BCHE 3726/4885ACHE 489/4885CA1 4389/4885
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 BCHE 1472/4885ACHE 42/4885CA1 2997/4885
US-10550088-B2 6-substituted and 7-substituted morphinan analogs and the use thereof OPRL1, OPRM1, OPRD1 BCHE 3726/4885ACHE 489/4885CA1 4389/4885
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof STAT3, JAK2, STAT6 BCHE 4855/4885ACHE 4849/4885CA1 3915/4885
US-10138207-B2 Benzomorphan analogs and the use thereof OPRL1, OPRD1, OPRM1 BCHE 814/4885ACHE 303/4885CA1 1967/4885
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF STAT3, JAK2, STAT6 BCHE 4855/4885ACHE 4849/4885CA1 3915/4885

“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.