SCHEMBL125589

SCHEMBL125589

COC(=O)c1c(-c2ccccc2)nn2ccc3c(c12)CCO3

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.63
MTNR1B P49286 11/20 0.63
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS1 P23219 1/20 0.44
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL128044 0.89 MTNR1A (0.51) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL172381 0.88 MTNR1B (0.62) MTNR1AMTNR1BMEN1KMT2ACYP2C9
SCHEMBL13498607 0.79 MTNR1A (0.62) MTNR1AMTNR1BTP53MAPTALDH1A1
SCHEMBL124170 0.79 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL172491 0.78 MTNR1A (0.52) MTNR1AMTNR1BKMT2ALMNAALDH1A1
SCHEMBL123755 0.77 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL127599 0.77 MTNR1A (0.67) MTNR1AMTNR1BLMNAALDH1A1
SCHEMBL124090 0.76 MTNR1B (0.82) MTNR1AMTNR1B
SCHEMBL172456 0.74 MTNR1B (0.60) MTNR1AMTNR1BMEN1KMT2ACYP2C9
SCHEMBL126115 0.73 MEN1 (0.49) MTNR1AMTNR1BMEN1KMT2APTGS1

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 2/4885MEN1 107/4885

“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.