SCHEMBL2070913

SCHEMBL2070913

CSc1ncc(-c2ccc(C)cc2C)c(=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DAO P14920 1/20 0.32

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
SCHEMBL11200904 0.72 ALDH1A1 (0.39) POLBHPGDLMNAKDM4ERAB9A
SCHEMBL2070046 0.72 CRHR1 (0.62) CRHR1
SCHEMBL2069559 0.72 CRHR1 (0.43) CRHR1GAALMNAKDM4ESMN1; SMN2
SCHEMBL24211507 0.71 HTT (0.35) TP53GAAMAPTPOLBHPGD
SCHEMBL2861659 0.68 ALDH1A1 (0.39) HPGDLMNAKDM4EDAO
SCHEMBL2070835 0.68 RXFP1 (0.37) GAAMAPTPOLBHPGDLMNA
SCHEMBL11491285 0.66 RXFP1 (0.36) GAAMAPTPOLBHPGDLMNA
SCHEMBL19479324 0.66 DRD1 (0.56) CRHR1GAAMAPTLMNA
SCHEMBL3043421 0.66 TDP1 (0.52) TP53GAAMAPTLMNARAB9A
SCHEMBL31547677 0.66 TDP1 (0.52) TP53GAAMAPTLMNARAB9A

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 1/4885TP53 4425/4885GAA 4637/4885

“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.