SCHEMBL5114693

SCHEMBL5114693

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HTT P42858 2/20 0.37
POLB P06746 4/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.34
MLYCD O95822 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4744925 0.85 POLB (0.42) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL8939927 0.84 HTT (0.38) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL27626973 0.81 KMT2A (0.35) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL1647119 0.72 SMN1; SMN2 (0.32) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL28005178 0.72 POLB (0.38) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL6396268 0.72 POLB (0.43) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL28189069 0.70 TSHR (0.40) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL27607927 0.70 POLB (0.39) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL15974360 0.70 HTT (0.39) TSHRHTTPOLBLMNASMN1; SMN2
SCHEMBL4723949 0.70 SMN1; SMN2 (0.32) TSHRHTTPOLBLMNASMN1; SMN2

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 18 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 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
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
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP 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

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 TSHR 140/4885HTT 1811/4885POLB 3251/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR TSHR 140/4885HTT 1811/4885POLB 3251/4885

“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.