SCHEMBL128531

SCHEMBL128531

CCOC(=O)c1c(CC)nn2ccc3c(c12)CCO3

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.59
MTNR1B P49286 12/20 0.59
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CLK1 P49759 1/20 0.38
EED O75530 4/20 0.38
SUZ12 Q15022 2/20 0.38
EZH2 Q15910 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4D Q08499 1/20 0.36

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
SCHEMBL125340 0.89 MTNR1A (0.58) MTNR1AMTNR1BNPC1RAB9AEED
SCHEMBL127145 0.86 MTNR1B (0.66) MTNR1AMTNR1B
SCHEMBL172150 0.86 MTNR1B (0.63) MTNR1AMTNR1B
SCHEMBL126265 0.84 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9AEED
SCHEMBL127261 0.77 MTNR1B (0.67) MTNR1AMTNR1BEEDSUZ12EZH2
SCHEMBL128266 0.77 MTNR1A (0.47) MTNR1AMTNR1BRAB9AEEDSUZ12
SCHEMBL172456 0.75 MTNR1B (0.60) MTNR1AMTNR1B
SCHEMBL126819 0.74 MTNR1B (0.59) MTNR1AMTNR1B
SCHEMBL123197 0.74 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL28467069 0.73 PDE4D (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 8 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
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 MTNR1A 1/4885MTNR1B 2/4885NPC1 2149/4885

“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.