SCHEMBL543484

SCHEMBL543484

Cn1cc2c(CO)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
USP7 Q93009 1/20 0.38
MPO P05164 3/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17680609 0.84 USP7 (0.41) MAPTUSP7ALDH1A1BRD4CREBBP
SCHEMBL28786058 0.80 TDP1 (0.47) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL543413 0.79 ATM (0.41) ATMKDM4EMAPTLMNATP53
SCHEMBL21494779 0.79 HTR2A (0.42) KDM4EMAPTUSP7ALDH1A1NPSR1
SCHEMBL30006395 0.79 ICMT (0.39) USP7ALDH1A1BRD4CREBBPSYK
SCHEMBL24852679 0.78 HDAC6 (0.45) KDM4EMAPTALDH1A1NPSR1NPC1
SCHEMBL28264564 0.77 HTR2A (0.41)
SCHEMBL24853040 0.77 MTNR1A (0.45) KDM4EUSP7MPOSYK
SCHEMBL19624872 0.74 ATM (0.38) ATMLMNATSHRALDH1A1NPSR1
SCHEMBL7946910 0.73 CYP2A6 (0.42) KDM4EMAPTUSP7ALDH1A1BRD4

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
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
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN 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 ATM 3692/4885KDM4E 2179/4885MAPT 3983/4885

“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.