SCHEMBL3580128

SCHEMBL3580128

CCOC(=O)c1c(C)nn2ccc3c(c12)C(CCN)CC3

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.53
MTNR1B P49286 4/20 0.43
PDE4D Q08499 3/20 0.39
MAPK1 P28482 1/20 0.36
PDE4B Q07343 1/20 0.34
GRK6 P43250 1/20 0.33
PLAT P00750 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3581903 0.90 MTNR1A (0.47) MTNR1AMTNR1BPDE4DMAPK1GRK6
SCHEMBL3574771 0.86 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL3574107 0.85 MTNR1A (0.48) MTNR1AMTNR1BPDE4DMAPK1PDE4B
SCHEMBL11985443 0.82 MTNR1A (0.58) MTNR1AMTNR1BGPR119
SCHEMBL3574624 0.82 MTNR1A (0.58) MTNR1AMTNR1BGPR119
SCHEMBL11985520 0.82 MTNR1A (0.58) MTNR1AMTNR1BGPR119
SCHEMBL3583501 0.82 MTNR1A (0.44) MTNR1AMTNR1BLMNAHPGDKMT2A
SCHEMBL13705669 0.78 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3574649 0.77 MTNR1A (0.46) MTNR1AMTNR1BMEN1LMNAHPGD
SCHEMBL3579410 0.75 MTNR1A (0.42) MTNR1AMTNR1BPDE4DHPGDPTGS1

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
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

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 MTNR1A 1/4885MTNR1B 2/4885PDE4D 3840/4885

“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.