SCHEMBL127375

SCHEMBL127375

OCc1cnn2ccc3c(c12)CCO3

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 13/20 0.43
MTNR1A P48039 12/20 0.43
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
EED O75530 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
RET P07949 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
SCHEMBL125199 0.83 MTNR1A (0.41) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL125064 0.82 MTNR1A (0.38) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL124106 0.78 MTNR1A (0.67) MTNR1BMTNR1A
SCHEMBL127156 0.76 MTNR1B (0.68) MTNR1BMTNR1A
SCHEMBL172332 0.76 MTNR1A (0.45) MTNR1BMTNR1A
SCHEMBL125891 0.75 MTNR1B (0.57) MTNR1BMTNR1A
SCHEMBL126960 0.73 MTNR1B (0.65) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL128266 0.72 MTNR1A (0.47) MTNR1BMTNR1ADRD2DRD4DRD3
SCHEMBL127261 0.71 MTNR1B (0.67) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL124089 0.70 MTNR1A (0.66) MTNR1BMTNR1AEED

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
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
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 1/4885DRD2 245/4885

“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.