SCHEMBL2069559

SCHEMBL2069559

CCCNc1ncc(-c2ccc(C)cc2C)c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.43
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.36
EED O75530 2/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
TLR8 Q9NR97 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
RAD52 P43351 1/20 0.34
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL2070046 0.75 CRHR1 (0.62) CRHR1
SCHEMBL2070913 0.72 CRHR1 (0.37) CRHR1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL10233665 0.64 MAPK1 (0.35) SMN1; SMN2LMNATSHRHTTKDM4E
SCHEMBL10183599 0.62 MAPK1 (0.33) SMN1; SMN2LMNATSHRHTTKDM4E
SCHEMBL19479324 0.61 DRD1 (0.56) CRHR1LMNAGAA
SCHEMBL11333572 0.61 SMN1; SMN2 (0.49) CNR2SMN1; SMN2LMNAHTTMAPK1
SCHEMBL3043421 0.61 TDP1 (0.52) SMN1; SMN2LMNACYP3A4GAA
SCHEMBL31547677 0.61 TDP1 (0.52) SMN1; SMN2LMNACYP3A4GAA
SCHEMBL2747352 0.59 HSD11B1 (0.55) HSD17B10TLR8GAA
SCHEMBL11961829 0.59 NOS2 (0.57) SMN1; SMN2KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 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 (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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R CRHR1 1/4885CNR2 28/4885SMN1; SMN2 4009/4885

“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.