SCHEMBL4498294

SCHEMBL4498294

CCC(Oc1cc[c]cc1)N1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.34
SLC6A2 P23975 7/20 0.34
ALDH1A1 P00352 6/20 0.34
SLC6A4 P31645 5/20 0.34
ACHE P22303 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11826133 0.84 ALDH1A1 (0.38) ALDH1A1ACHETSHRCHRM2CHRM1
SCHEMBL5163007 0.83 POLB (0.44) SLC6A3SLC6A2ALDH1A1TSHRPOLB
SCHEMBL12130607 0.81 MEN1 (0.43) SLC6A3SLC6A2TSHRPOLBCHRM2
SCHEMBL12130585 0.80 HRH3 (0.48) SLC6A3SLC6A4
SCHEMBL12130462 0.80 HRH3 (0.48) SLC6A3SLC6A4
SCHEMBL12130534 0.78 HRH3 (0.49) SLC6A3SLC6A4
SCHEMBL5115964 0.78 ALDH1A1 (0.33) SLC6A3SLC6A2ALDH1A1SLC6A4ACHE
SCHEMBL4515372 0.78 ALDH1A1 (0.33) SLC6A3SLC6A2ALDH1A1SLC6A4ACHE
SCHEMBL5122546 0.78 ALDH1A1 (0.33) SLC6A3SLC6A2ALDH1A1SLC6A4ACHE
SCHEMBL5122082 0.78 ALDH1A1 (0.33) SLC6A3SLC6A2ALDH1A1SLC6A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452914-B2 Spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-18 US claimed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US claimed
EP-1789421-A1 SPIRO-BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-30 EP claimed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP claimed
WO-2006014634-A1 SPIRO-BENZO ` C ! CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 WO claimed
US-20060020018-A1 Novel spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-26 US claimed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP claimed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US claimed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO claimed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20090069362-A1 Novel Spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors ZHANG XUQING 2009-03-12 US disclosed
US-7452914-B2 Spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-18 US disclosed
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS ZHANG XUQING 2008-09-11 US disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 US disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 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 (5 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-20060020018-A1 Novel spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors ESR2, ESR1, ESRRA SLC6A3 4519/4885SLC6A2 4795/4885ALDH1A1 1463/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR SLC6A3 4446/4885SLC6A2 4789/4885ALDH1A1 2801/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 SLC6A3 4722/4885SLC6A2 4852/4885ALDH1A1 2052/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR SLC6A3 4446/4885SLC6A2 4789/4885ALDH1A1 2801/4885
US-20090069362-A1 Novel Spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors ESR2, ESR1, ESRRA SLC6A3 4519/4885SLC6A2 4795/4885ALDH1A1 1463/4885

“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.