SCHEMBL127156

SCHEMBL127156

CCC(=O)NCCc1cnn2ccc3c(c12)CCO3

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 19/20 0.68
MTNR1A P48039 18/20 0.68
ABCB11 O95342 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL125891 0.92 MTNR1B (0.57) MTNR1BMTNR1A
SCHEMBL124106 0.89 MTNR1A (0.67) MTNR1BMTNR1A
SCHEMBL125264 0.81 MTNR1B (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL124885 0.80 MTNR1B (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL124983 0.78 MTNR1B (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL123962 0.78 MTNR1B (1.00) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL124090 0.77 MTNR1B (0.82) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL125199 0.77 MTNR1A (0.41) MTNR1BMTNR1A
SCHEMBL127375 0.76 MTNR1B (0.43) MTNR1BMTNR1A
SCHEMBL126117 0.75 MTNR1B (0.71) MTNR1BMTNR1AABCB11SIGMAR1USP2

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 1/4885ABCB11 906/4885

“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.