SCHEMBL550023

SCHEMBL550023

[c]1cccc2ccc3c(c12)CCCCC3

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NQO1 P15559 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL15794602 0.81 KIF11 (0.33) BCL2L1BADKIF11NQO1
SCHEMBL2515354 0.71 ACHE (0.33) TSHR
SCHEMBL1587165 0.71 ALDH1A1 (0.35) TSHR
SCHEMBL28753848 0.69 KIF11 (0.47) BCL2L1BADKIF11TSHRNQO1
SCHEMBL2844035 0.69 KIF11 (0.40) BCL2L1BADKIF11TSHRNOS3
SCHEMBL9461283 0.68 BCL2L1 (0.50) BCL2L1BADKIF11TSHRNOS3
SCHEMBL29853815 0.67 KIF11 (0.49) BCL2L1BADKIF11TSHRNQO1
SCHEMBL322439 0.67 KIF11 (0.49) BCL2L1BADKIF11TSHRNQO1
SCHEMBL7475643 0.67 PARP1 (0.30)
SCHEMBL1278375 0.66 BCL2L1 (0.52) BCL2L1BADKIF11TSHRNOS3

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 75 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
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2012-05-03 US disclosed
WO-2012038813-A1 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2012-03-29 WO disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP 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
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
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 (8 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 BCL2L1 3317/4885BAD 1142/4885KIF11 3412/4885
US-20200148646-A1 6-SUBSTITUTED AND 7-SUBSTITUTED MORPHINAN ANALOGS AND THE USE THEREOF OPRL1, OPRM1, OPRD1 BCL2L1 4462/4885BAD 1793/4885KIF11 3499/4885
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 BCL2L1 2458/4885BAD 229/4885KIF11 4568/4885
US-10550088-B2 6-substituted and 7-substituted morphinan analogs and the use thereof OPRL1, OPRM1, OPRD1 BCL2L1 4462/4885BAD 1793/4885KIF11 3499/4885
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof STAT3, JAK2, STAT6 BCL2L1 728/4885BAD 118/4885KIF11 4608/4885
US-10138207-B2 Benzomorphan analogs and the use thereof OPRL1, OPRD1, OPRM1 BCL2L1 492/4885BAD 2566/4885KIF11 3091/4885
US-20120108575-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 BCL2L1 2458/4885BAD 229/4885KIF11 4568/4885
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF STAT3, JAK2, STAT6 BCL2L1 728/4885BAD 118/4885KIF11 4608/4885

“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.