SCHEMBL128266

SCHEMBL128266

CCOC(=O)c1cnn2ccc3c(c12)CCO3

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.47
MTNR1B P49286 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
EED O75530 3/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
TSHR P16473 1/20 0.40
OGA O60502 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
SCHEMBL172332 0.81 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL125340 0.79 MTNR1A (0.58) MTNR1AMTNR1BSMN1; SMN2ALDH1A1RAB9A
SCHEMBL128531 0.77 MTNR1A (0.59) MTNR1AMTNR1BSMN1; SMN2ALDH1A1RAB9A
SCHEMBL126265 0.75 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2ALDH1A1HPGD
SCHEMBL16309064 0.75 SMN1; SMN2 (0.51) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL16309075 0.74 SMN1; SMN2 (0.50) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL24712976 0.73 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL16309072 0.73 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL26537904 0.73 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL18863880 0.73 ALDH1A1 (0.52) SMN1; SMN2DRD2DRD4DRD3ALDH1A1

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 8 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
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

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 2/4885SMN1; SMN2 1640/4885

“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.