SCHEMBL125753

SCHEMBL125753

OCc1c(C2CC2)nn2ccc3c(c12)CCO3

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.66
MTNR1A P48039 9/20 0.66
EED O75530 7/20 0.32
SUZ12 Q15022 7/20 0.32
EZH2 Q15910 7/20 0.32
RBBP4 Q09028 5/20 0.32
AEBP2 Q6ZN18 1/20 0.32
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
DRD3 P35462 2/20 0.31
SLC9A1 P19634 1/20 0.30

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
SCHEMBL126757 0.85 MTNR1A (0.67) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL124834 0.84 MTNR1A (0.60) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL172399 0.82 MTNR1A (0.67) MTNR1BMTNR1ADRD2HTR2ADRD3
SCHEMBL126994 0.80 MTNR1A (1.00) MTNR1BMTNR1A
SCHEMBL126960 0.80 MTNR1B (0.65) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL123962 0.79 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL127261 0.78 MTNR1B (0.67) MTNR1BMTNR1AEEDSUZ12EZH2
SCHEMBL124089 0.77 MTNR1A (0.66) MTNR1BMTNR1AEED
SCHEMBL124170 0.76 MTNR1A (0.65) MTNR1BMTNR1AEEDDRD2HTR2A
SCHEMBL127599 0.76 MTNR1A (0.67) MTNR1BMTNR1AEEDSUZ12EZH2

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
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR MTNR1B 2/4885MTNR1A 1/4885EED 1442/4885

“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.