SCHEMBL544062

SCHEMBL544062

Cc1cn2c(C3CC3CO)cccc2n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 5/20 0.32
GRIN1 Q05586 4/20 0.32
GRIA2 P42262 3/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
GAA P10253 2/20 0.32
PDE10A Q9Y233 1/20 0.31
F10 P00742 1/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL543582 0.86 HTR2C (0.41)
SCHEMBL543683 0.81 MTNR1B (0.41) GAAKMT2AKDM4EALDH1A1
SCHEMBL543702 0.80 GRIN1 (0.35) GRIN2AGRIN1GRIA2
SCHEMBL543615 0.80 MTNR1B (0.48) GAAKDM4E
SCHEMBL543423 0.78 RXFP1 (0.42) GAAKMT2AKDM4EALDH1A1
SCHEMBL542447 0.75 EGLN2 (0.40) GRIN2AGRIN1GRIA2CHRNB2CHRNA4
SCHEMBL543881 0.75 GAA (0.43) GAAKMT2AKDM4EALDH1A1
SCHEMBL7871598 0.69 GAA (0.38) GAAF10KMT2AKDM4EALDH1A1
SCHEMBL543642 0.67 EGLN2 (0.36) GRIN2AGRIN1GRIA2
SCHEMBL8811947 0.67 KMT2A (0.39) GAAKMT2AKDM4EALDH1A1

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-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH GRIN2A 1339/4885GRIN1 1220/4885GRIA2 1906/4885

“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.