SCHEMBL128044

SCHEMBL128044

COC(=O)c1c(-c2ccc(F)cc2)nn2ccc3c(c12)CCO3

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.51
MTNR1B P49286 10/20 0.51
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
GABRA5 P31644 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL125589 0.89 MTNR1A (0.63) MTNR1AMTNR1BLMNAMAPTTP53
SCHEMBL172491 0.87 MTNR1A (0.52) MTNR1AMTNR1BLMNAKMT2AALDH1A1
SCHEMBL13498607 0.80 MTNR1A (0.62) MTNR1AMTNR1BMAPTTP53ALDH1A1
SCHEMBL126984 0.78 MTNR1B (0.82) MTNR1AMTNR1B
SCHEMBL124654 0.78 MTNR1A (0.53) MTNR1AMTNR1BMAPT
SCHEMBL124170 0.78 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL172381 0.77 MTNR1B (0.62) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL126117 0.77 MTNR1B (0.71) MTNR1AMTNR1B
SCHEMBL5395592 0.74 MAPK14 (0.55) LMNAMAPTTP53MEN1KMT2A
SCHEMBL172421 0.74 MTNR1A (0.54) 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 2/4885LMNA 1033/4885

“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.