SCHEMBL5216666

SCHEMBL5216666

O=Cc1ccc(OCCNCCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
TAAR1 Q96RJ0 1/20 0.64
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
DRD4 P21917 4/20 0.58
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
KCNH2 Q12809 1/20 0.54
LTA4H P09960 4/20 0.52
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
BCHE P06276 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50

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
SCHEMBL1299974 0.85 RAB9A (0.61) GAADRD4DRD2DRD3LTA4H
SCHEMBL10990054 0.85 GAA (1.00) GAATAAR1MEN1KMT2ADRD4
SCHEMBL947314 0.84 FFAR1 (0.59) DRD4DRD2DRD3S1PR1S1PR3
SCHEMBL9272617 0.83 GAA (0.81) GAATAAR1MEN1KMT2ADRD4
SCHEMBL3083583 0.83 FFAR1 (0.60) DRD4DRD2DRD3S1PR1S1PR3
SCHEMBL9098252 0.81 FFAR1 (0.59) DRD4DRD2DRD3S1PR1S1PR3
SCHEMBL3843475 0.81 FFAR1 (0.59) DRD4DRD2DRD3S1PR1S1PR3
SCHEMBL15228875 0.81 GAA (0.78) GAATAAR1MEN1KMT2ADRD4
SCHEMBL9531141 0.81 TAAR1 (0.60) TAAR1MEN1KMT2ALTA4HS1PR1
SCHEMBL10410490 0.80 GAA (0.89) GAATAAR1MEN1KMT2ADRD4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US 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
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 GAA 2358/4885TAAR1 624/4885MEN1 2458/4885
US-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 GAA 3654/4885TAAR1 1307/4885MEN1 1841/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 GAA 2358/4885TAAR1 624/4885MEN1 2458/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 GAA 3654/4885TAAR1 1307/4885MEN1 1841/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 GAA 3654/4885TAAR1 1307/4885MEN1 1841/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 GAA 2011/4885TAAR1 430/4885MEN1 1663/4885

“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.