SCHEMBL543434

SCHEMBL543434

Cc1cc2c([C@@H]3C[C@H]3C=O)cccn2n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 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
SCHEMBL543433 1.00 KDM4E (0.35) KDM4EMTNR1AMTNR1B
SCHEMBL10290078 0.86 KDM4E (0.35) KDM4EMTNR1AMTNR1B
SCHEMBL543989 0.83 KDM4E (0.33) KDM4EMTNR1AMTNR1B
SCHEMBL543988 0.83 KDM4E (0.33) KDM4EMTNR1AMTNR1B
SCHEMBL543990 0.83 KDM4E (0.33) KDM4EMTNR1AMTNR1B
SCHEMBL543523 0.77 FFAR4 (0.38) MTNR1AMTNR1B
SCHEMBL543316 0.76 KDM4E (0.33) KDM4E
SCHEMBL543306 0.75 MTNR1A (0.34) KDM4EMTNR1AMTNR1B
SCHEMBL10257264 0.75 HTR2C (0.50)
SCHEMBL543307 0.75 MTNR1A (0.34) KDM4EMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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 (1 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH KDM4E 2179/4885MTNR1A 1/4885MTNR1B 2/4885

“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.