SCHEMBL4744925

SCHEMBL4744925

[CH2]C(=O)N(CC)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL5114693 0.85 TSHR (0.37) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL6396268 0.82 POLB (0.43) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL5112834 0.82 L3MBTL1 (0.31) KMT2AL3MBTL1
SCHEMBL27607927 0.80 POLB (0.39) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL5142027 0.79 TSHR (0.42) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL18505994 0.74 SMN1; SMN2 (0.47) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL8939927 0.72 HTT (0.38) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL28220177 0.71 SMN1; SMN2 (0.42) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL27626973 0.70 KMT2A (0.35) POLBTSHRHTTSMN1; SMN2RECQL
SCHEMBL4754126 0.70 POLB (0.37) POLBTSHRHTTSMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US claimed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP claimed
CN-1620457-A tetracyclic heterocyclic compounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2005-05-25 CN 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
CN-101450950-A Tetracyclic heterocompounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2009-06-10 CN disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
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
CN-1745085-A Novel tetracyclic heteroatom containing derivatives as selective estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2006-03-08 CN disclosed
CN-1620457-A tetracyclic heterocyclic compounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2005-05-25 CN 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
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 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 (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 POLB 3251/4885TSHR 140/4885HTT 1811/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR POLB 3251/4885TSHR 140/4885HTT 1811/4885

“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.