SCHEMBL4853754

SCHEMBL4853754

CC(Oc1c[c]ccc1)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
ACHE P22303 2/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL1282981 0.98 CHRNB4 (0.34) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL5412380 0.86 ALDH1A1 (0.41) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL5114636 0.80 ALDH1A1 (0.33) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL4515372 0.80 ALDH1A1 (0.33) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL5122546 0.80 ALDH1A1 (0.33) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL5111199 0.80 ALDH1A1 (0.33) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL5115964 0.80 ALDH1A1 (0.33) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL5122082 0.80 ALDH1A1 (0.33) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL14966522 0.80 CHRNB4 (0.47) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1
SCHEMBL4322787 0.80 CHRNB4 (0.47) CHRNB4CHRNA3SLC6A2SLC6A3CHRNA1

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 17 patents. 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
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
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP 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 (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-20060020018-A1 Novel spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors ESR2, ESR1, ESRRA CHRNB4 1082/4885CHRNA3 389/4885SLC6A2 4795/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR CHRNB4 1907/4885CHRNA3 826/4885SLC6A2 4789/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR CHRNB4 1907/4885CHRNA3 826/4885SLC6A2 4789/4885

“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.