SCHEMBL123730

SCHEMBL123730

N#CCCc1nccc2c1CCO2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.36
DRD2 P14416 9/20 0.36
DRD3 P35462 9/20 0.36
DRD1 P21728 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
EED O75530 3/20 0.31
SUZ12 Q15022 3/20 0.31
EZH2 Q15910 3/20 0.31
RBBP4 Q09028 2/20 0.31
AEBP2 Q6ZN18 2/20 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
SCHEMBL3793545 0.76 DRD1 (0.35) HTR2ADRD2DRD3DRD1HTR2C
SCHEMBL126247 0.74 DRD2 (0.37) HTR2ADRD2DRD3
SCHEMBL6956774 0.72 MTNR1B (0.39) HTR2ADRD2DRD3EEDSUZ12
SCHEMBL17190972 0.70 DRD1 (0.46) HTR2ADRD2DRD3DRD1EED
SCHEMBL125014 0.69 MTNR1A (0.50)
SCHEMBL9789947 0.67 ACHE (0.35) HTR2ADRD1HTR2CHTR2B
SCHEMBL9789848 0.67 CTNNB1 (0.35) HTR2ADRD1HTR2CHTR2BEED
SCHEMBL24529108 0.66 NOS3 (0.46) HTR2ADRD2DRD3DRD1HTR2C
SCHEMBL31299097 0.66 DRD1 (0.37) HTR2ADRD2DRD3DRD1
SCHEMBL29677405 0.66 NOS3 (0.46) HTR2ADRD2DRD3DRD1HTR2C

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 HTR2A 15/4885DRD2 245/4885DRD3 356/4885

“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.