SCHEMBL5116224

SCHEMBL5116224

Ic1ccc(OCCC2CNCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A3 Q01959 5/20 0.43
HTR2A P28223 4/20 0.43
HTR2B P41595 2/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA2C P18825 1/20 0.43
MKNK1 Q9BUB5 1/20 0.39
HRH1 P35367 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR3A P46098 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL7216614 0.87 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL2761385 0.86 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL7349980 0.83 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL6941071 0.83 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL7324975 0.82 HPGD (0.46) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL9385927 0.82 MEN1 (0.48)
SCHEMBL11716518 0.78 NR4A1 (0.41) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL2761991 0.77 CHEK1 (0.39) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL9380023 0.76 TDP1 (0.46) SLC6A4SLC6A2SLC6A3HTR2AHTR2B
SCHEMBL4269340 0.76 TSHR (0.43) SLC6A4SLC6A2SLC6A3HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR SLC6A4 4345/4885SLC6A2 4789/4885SLC6A3 4446/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR SLC6A4 4345/4885SLC6A2 4789/4885SLC6A3 4446/4885

“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.