SCHEMBL4841701

SCHEMBL4841701

N#Cc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.53
LGMN Q99538 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
AR P10275 1/20 0.40
CHEK1 O14757 1/20 0.40
HTR7 P34969 2/20 0.39
JAK2 O60674 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL20347012 0.94 KDM4E (0.50) KDM4ETP53LGMNCHRNA10CHRNA9
Benzaldehyde SCHEMBL6074528 0.85 KCNH2 (0.41) KDM4ETP53LGMNCHRNA10CHRNA9
SCHEMBL31380581 0.83 LGMN (0.50) KDM4ETP53LGMNPOLBMAPT
SCHEMBL17542673 0.81 KDM4E (0.54) KDM4ETP53CHRNA10CHRNA9KCNH2
SCHEMBL6132758 0.79 LGMN (0.52) KDM4ELGMNLMNATSHRALDH1A1
SCHEMBL31380513 0.78 LGMN (0.46) KDM4ELGMNPOLBMAPTSMN1; SMN2
SCHEMBL39646 0.78 KDM4E (0.63) KDM4ETP53CHRNA10CHRNA9AR
SCHEMBL2384959 0.78 KDM4E (0.80) KDM4ETP53CHRNA10CHRNA9KCNH2
SCHEMBL250799 0.77 KDM4E (0.58) KDM4ETP53CHRNA10CHRNA9KCNH2
SCHEMBL20346737 0.77 KDM4E (0.62) KDM4ETP53CHRNA10CHRNA9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 WO disclosed
US-7384943-B2 Substituted chroman derivatives ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-7384943-B2 Substituted chroman derivatives ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant BERG STEFAN 2006-10-05 US disclosed
US-7056921-B2 Substituted chroman derivatives ASTRAZANECA AB (SE) 2006-06-06 US disclosed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20040157857-A1 Substituted chroman derivatives BERG STEFAN (SE) 2004-08-12 US disclosed
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 EP disclosed
WO-1999013878-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 WO disclosed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed
US-4748246-A INTERLEUKIN ANTAGONISTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 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 (3 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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 KDM4E 4439/4885TP53 2233/4885LGMN 544/4885
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant HTR2B, HTR2C, HTR2A KDM4E 4104/4885TP53 4876/4885LGMN 4834/4885
US-20040157857-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 KDM4E 2588/4885TP53 4311/4885LGMN 4669/4885

“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.