SCHEMBL124170

SCHEMBL124170

COC(=O)c1c(C2CC2)nn2ccc3c(c12)CCO3

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.65
MTNR1B P49286 15/20 0.65
DRD2 P14416 4/20 0.35
HTR2A P28223 4/20 0.35
DRD3 P35462 4/20 0.35
EED O75530 1/20 0.33

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
SCHEMBL172399 0.86 MTNR1A (0.67) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL13498607 0.80 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL125589 0.79 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL126994 0.79 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL128044 0.78 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL125753 0.76 MTNR1B (0.66) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL123962 0.75 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL125340 0.73 MTNR1A (0.58) MTNR1AMTNR1BEED
SCHEMBL172456 0.72 MTNR1B (0.60) MTNR1AMTNR1B
SCHEMBL127145 0.72 MTNR1B (0.66) MTNR1AMTNR1B

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 6 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
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
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 MTNR1A 1/4885MTNR1B 2/4885DRD2 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.