SCHEMBL125610

SCHEMBL125610

OCc1c(-c2ccccc2)nn2ccc3occc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.31
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL172514 0.85 MTNR1A (0.38) MTNR1AMTNR1BHTR2AHTR2CHTT
SCHEMBL124982 0.84 CYP1A1 (0.34) MTNR1AMTNR1BHTR2AHTR2CMEN1
SCHEMBL126115 0.75 MEN1 (0.49) SMN1; SMN2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL127599 0.71 MTNR1A (0.67) SMN1; SMN2MTNR1AMTNR1BPOLBHTT
SCHEMBL129461 0.67 HTR2A (0.43) HTR2AHTR2C
SCHEMBL5057002 0.65 SMN1; SMN2 (0.45) SMN1; SMN2MTNR1AMTNR1BPOLBKDM4E
SCHEMBL9752919 0.63 SMN1; SMN2 (0.43) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL17195074 0.63 CNR2 (0.49) HTR2CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11248247 0.61 KMT2A (0.49) SMN1; SMN2POLBKDM4EALDH1A1HPGD
SCHEMBL170589 0.61 HTR2C (0.38) HTR2AHTR2CMAPK1

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 SMN1; SMN2 1640/4885MTNR1A 1/4885MTNR1B 2/4885

“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.