SCHEMBL3579151

SCHEMBL3579151

COC(=O)c1c(-c2ccccc2)nn2ccc3c(c12)C(CC#N)CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MTNR1A P48039 5/20 0.41
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KDM5A P29375 1/20 0.36
MAPT P10636 4/20 0.35
EGFR P00533 1/20 0.35
MTNR1B P49286 4/20 0.35
PTGS1 P23219 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3574649 0.86 MTNR1A (0.46) MEN1KMT2AMTNR1ALMNATP53
SCHEMBL3574107 0.77 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL3581279 0.69 DRD2 (0.39) MTNR1ALMNAMTNR1BALDH1A1NPSR1
SCHEMBL125589 0.68 MTNR1A (0.63) MEN1KMT2AMTNR1ALMNATP53
SCHEMBL126115 0.66 MEN1 (0.49) MEN1KMT2AMTNR1ALMNATP53
SCHEMBL13092126 0.63 CHRNB2 (0.42) MEN1KMT2AMTNR1AMAPTMTNR1B
SCHEMBL13705665 0.62 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL3574771 0.62 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL3581903 0.61 MTNR1A (0.47) MTNR1AMTNR1BPTGS1ALDH1A1KDM4E
SCHEMBL3579345 0.61 MTNR1A (0.60) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH MEN1 279/4885KMT2A 518/4885MTNR1A 1/4885

“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.