SCHEMBL1732175

SCHEMBL1732175

O=C1CN(CCCO)CC12CC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PABPC1 P11940 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1729874 0.88 KMT2A (0.41) TSHRKMT2A
SCHEMBL11980489 0.64 HTR5A (0.42) TSHRKMT2AALDH1A1PABPC1L3MBTL1
SCHEMBL16068394 0.63
SCHEMBL27108527 0.63 CYP1A2 (0.35) TSHRUSP2
SCHEMBL119860 0.63 HRH3 (0.41) TSHRKMT2AALDH1A1PABPC1L3MBTL1
SCHEMBL8110294 0.63 HRH3 (0.41) TSHRKMT2AALDH1A1PABPC1L3MBTL1
SCHEMBL14967930 0.63 TSHR (0.40) TSHR
SCHEMBL4027591 0.61 PIK3CD (0.55) TSHRKMT2AALDH1A1PABPC1L3MBTL1
SCHEMBL14967993 0.61 TSHR (0.42) TSHR
SCHEMBL1730210 0.61 OPRM1 (0.40) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973407-B1 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2011-11-23 EP claimed
US-20110237794-A1 Spiro Compounds And Methods Of Use CHEN GUOQING PAUL 2011-09-29 US claimed
US-20070167470-A1 Spiro compounds and methods of use CHEN GUOQING P 2007-07-19 US claimed
EP-1973407-B1 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2011-11-23 EP disclosed
US-20110237794-A1 Spiro Compounds And Methods Of Use CHEN GUOQING PAUL 2011-09-29 US disclosed
US-7977346-B2 Spiro compounds and methods of use CHEN GUOQING PAUL 2011-07-12 US disclosed
EP-1973407-A2 SPIRO COMPOUNDS AND METHODS OF USE Chen, Guoqing Paul (US) 2008-10-01 EP disclosed
WO-2007084875-A2 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2007-07-26 WO disclosed
US-20070167470-A1 Spiro compounds and methods of use CHEN GUOQING P 2007-07-19 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-20110237794-A1 Spiro Compounds And Methods Of Use TEK, KDR, EGFR TSHR 1738/4885KMT2A 4512/4885ALDH1A1 451/4885
US-20070167470-A1 Spiro compounds and methods of use TEK, KDR, EGFR TSHR 1738/4885KMT2A 4512/4885ALDH1A1 451/4885

“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.