SCHEMBL4965868

SCHEMBL4965868

O=Cc1cccc(OCCN2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.62
LTA4H P09960 4/20 0.59
KDM4E B2RXH2 3/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
PSMB1 P20618 1/20 0.54
PSMB5 P28074 1/20 0.54
PSMB2 P49721 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL29417616 1.00 BACE1 (0.62) BACE1LTA4HKDM4EPOLBGAA
SCHEMBL1283353 0.99 LTA4H (0.61) BACE1LTA4HKDM4EPOLBGAA
SCHEMBL29417804 0.99 LTA4H (0.61) BACE1LTA4HKDM4EPOLBGAA
SCHEMBL1039170 0.93 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL17688069 0.92 BACE1 (0.71) BACE1LTA4HKDM4EPOLBGAA
Hydrochloric Acid SCHEMBL2425484 0.92 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL29417693 0.87 KDM4E (0.62) LTA4HKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL210600 0.87 KDM4E (0.62) LTA4HKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL9080753 0.86 SMN1; SMN2 (0.50) BACE1LTA4HKDM4EPOLBGAA
SCHEMBL31475225 0.84 LTA4H (0.61) BACE1LTA4HKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 EP disclosed
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
EP-3455226-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2019-03-20 EP disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-9932340-B2 Substituted indoles ABBVIE INC. (US) 2018-04-03 US disclosed
US-20170349589-A9 Substituted Indoles ABBVIE INC. (US) 2017-12-07 US disclosed
WO-2017197192-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
US-20170174688-A1 Substituted Indoles ABBVIE INC. (US) 2017-06-22 US disclosed
EP-1891051-A2 SOLID FORMS OF 1-( 5-(IH-I , 2 , 4 -TRIAZOL- 5 -YL)(1H-INDAZOL-3-YL))-3-(2-PIPERIDYLETHOXY)BENZENE CELGENE CORPORATION (US) 2008-02-27 EP disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
US-4336374-A HYPOGLYCEMIC AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1982-06-22 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 (10 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 BACE1 4766/4885LTA4H 349/4885KDM4E 2798/4885
US-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BACE1 423/4885LTA4H 886/4885KDM4E 2429/4885
US-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BACE1 178/4885LTA4H 1438/4885KDM4E 2354/4885
US-20170174688-A1 Substituted Indoles SUV39H2, SUV39H1, IDO1 BACE1 2304/4885LTA4H 1918/4885KDM4E 68/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BACE1 423/4885LTA4H 886/4885KDM4E 2429/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 BACE1 178/4885LTA4H 1438/4885KDM4E 2354/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 BACE1 4766/4885LTA4H 349/4885KDM4E 2798/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 BACE1 178/4885LTA4H 1438/4885KDM4E 2354/4885
US-20170349589-A9 Substituted Indoles SUV39H2, SUV39H1, IDO1 BACE1 2304/4885LTA4H 1918/4885KDM4E 68/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 BACE1 4766/4885LTA4H 349/4885KDM4E 2798/4885

“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.