SCHEMBL10314397

SCHEMBL10314397

Cn1c(=O)c2c(OCCN3CCOCC3)c(C(=O)NC3CCCc4ccccc43)sc2c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.51
CNR2 P34972 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.43
FPR1 P21462 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAOK3 Q9H2K8 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
FFAR1 O14842 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL1061241 0.95 CNR1 (0.47) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL1057571 0.88 CNR2 (0.53) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL1061375 0.87 ALDH1A1 (0.47) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL1062983 0.85 TAOK1 (0.49) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL1058437 0.85 ALDH1A1 (0.45) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL10314390 0.84 KDM4E (0.46) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL10314373 0.82 ALDH1A1 (0.46) CNR1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL1062011 0.81 MEN1 (0.47) CNR1CNR2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10314394 0.80 KDM4E (0.54) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL10314391 0.80 KDM4E (0.51) CNR2SMN1; SMN2LMNAMAPTALDH1A1

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-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 WO 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CNR1 40/4885CNR2 55/4885SMN1; SMN2 3564/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CNR1 48/4885CNR2 58/4885SMN1; SMN2 3559/4885

“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.