SCHEMBL406201

SCHEMBL406201

CC(C)(C)C1Oc2ccccc2O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
CA2 P00918 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
PARP1 P09874 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
NISCH Q9Y2I1 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ATM Q13315 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL406194 0.81 POLB (0.47) NISCH
SCHEMBL14372921 0.77 PKM (0.36) LTA4HCA2USP2NISCH
SCHEMBL17658862 0.75 NISCH (0.49) LMNANISCHMAOAMAOB
SCHEMBL1744116 0.75 NISCH (0.31) NISCH
SCHEMBL24235141 0.70 CFTR (0.34)
SCHEMBL10687434 0.69 P2RX4 (0.33) LTA4HUSP2LMNA
SCHEMBL406202 0.69 NISCH (0.44) LTA4HNISCHCHRNB4CHRNA3CHRNB2
SCHEMBL19565507 0.69 NISCH (0.44) LTA4HNISCHCHRNB4CHRNA3CHRNB2
SCHEMBL8525523 0.69 POLB (0.43) CA2PARP1ABCG2ITGB2ICAM1
SCHEMBL12610431 0.69 NISCH (0.44) LTA4HNISCHCHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-8937096-B2 Use of benzo-fused heterocyle sulfamide derivatives for the treatment of mania and bipolar disorder JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
US-8853263-B2 Co-therapy for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
US-8716231-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of pain JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
US-8691867-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of substance abuse and addiction JANSSEN PHARMACEUTICA NV (BE) 2014-04-08 US disclosed
US-8497298-B2 Use of benzo-fused heterocycle sulfamide derivatives for lowering lipids and lowering blood glucose levels JANSSEN PHARMACEUTICA NV (BE) 2013-07-30 US disclosed
US-8492431-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2013-07-23 US disclosed
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SMITH-SWINTOSKY VIRGINIA L (US) 2012-03-15 US disclosed
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE SMITH-SWINTOSKY VIRGINIA L (US) 2012-03-15 US disclosed
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 US disclosed
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 US disclosed
US-20070155822-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
EP-0525877-A1 Pesticidal heterocyclic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-03 EP 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-20070155822-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN SULT2A1, OPRL1, NPSR1 LTA4H 337/4885CA2 599/4885USP2 2862/4885
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS STS, GABRB2, SULT2A1 LTA4H 1141/4885CA2 826/4885USP2 1145/4885
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION SDHA, SQOR, SDHB LTA4H 2943/4885CA2 3045/4885USP2 1313/4885
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE KRAS, NRAS, RHOA LTA4H 2314/4885CA2 755/4885USP2 2584/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 LTA4H 1043/4885CA2 2222/4885USP2 4067/4885
US-20120065257-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MIGRAINE CNR2, FAAH2, CCKBR LTA4H 704/4885CA2 545/4885USP2 1875/4885
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER GABBR1, GABBR2, SQOR LTA4H 3232/4885CA2 2789/4885USP2 3230/4885
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS GPR119, LIPC, GLP1R LTA4H 1575/4885CA2 2709/4885USP2 1970/4885

“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.