SCHEMBL830267

SCHEMBL830267

O=C(O)CCCC1CCCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
HTR2C P28335 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL29114059 0.96 SIGMAR1 (0.50) SIGMAR1HTR2CSLC6A3
SCHEMBL30658590 0.96 SIGMAR1 (0.50) SIGMAR1HTR2CSLC6A3
SCHEMBL7697230 0.90 HTR2C (0.54) SIGMAR1HTR2CSLC6A3
SCHEMBL4637304 0.90 MTNR1A (0.53) HTR2CSLC6A3MTNR1AMTNR1B
SCHEMBL5623941 0.87 HTR6 (0.51) MTNR1AMTNR1B
SCHEMBL28776115 0.85 HTR2C (0.55) HTR2CSLC6A3MTNR1AMTNR1B
SCHEMBL10586712 0.84 SIGMAR1 (0.53) SIGMAR1
SCHEMBL2406501 0.84 PARP1 (0.52) SIGMAR1
SCHEMBL31208355 0.83 HTR2C (0.48) SIGMAR1HTR2CSLC6A3
SCHEMBL29654989 0.83 HTR2C (0.48) SIGMAR1HTR2CSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189443-A1 TRICYCLIC AMIDE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189443-A1 TRICYCLIC AMIDE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG SIGMAR1 116/4885HTR2C 998/4885SLC6A3 2710/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 SIGMAR1 223/4885HTR2C 280/4885SLC6A3 1928/4885

“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.