SCHEMBL551505

SCHEMBL551505

C1CC[C]2C(CC1)CCCC1CCCCCC21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7761924 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL5271505 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL18240335 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL8529809 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL5302811 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL18274776 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL11231757 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL10413624 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL4655276 0.95 NOS3 (0.37) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL551237 0.93 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1MEN1

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 91 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
EP-3713916-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACITIVTY AND USES THEROF Kiakos, Konstantinos (AT) 2020-09-30 EP 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
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-2433936-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
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 (6 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 NOS3 669/4885NOS1 957/4885NOS2 683/4885
US-20200148646-A1 6-SUBSTITUTED AND 7-SUBSTITUTED MORPHINAN ANALOGS AND THE USE THEREOF OPRL1, OPRM1, OPRD1 NOS3 1052/4885NOS1 1554/4885NOS2 1648/4885
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 NOS3 638/4885NOS1 1045/4885NOS2 483/4885
US-10550088-B2 6-substituted and 7-substituted morphinan analogs and the use thereof OPRL1, OPRM1, OPRD1 NOS3 1052/4885NOS1 1554/4885NOS2 1648/4885
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof STAT3, JAK2, STAT6 NOS3 506/4885NOS1 1300/4885NOS2 1506/4885
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF STAT3, JAK2, STAT6 NOS3 506/4885NOS1 1300/4885NOS2 1506/4885

“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.