SCHEMBL2070646

SCHEMBL2070646

CCC(CC)Cn1c(=O)n(C)c(=O)c2c(-c3ccc(C)cc3C)cccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
ALDH1A1 P00352 6/20 0.37
PDE1A P54750 4/20 0.36
PDE1B Q01064 4/20 0.36
PDE1C Q14123 4/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
PDE2A O00408 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
MAPK10 P53779 1/20 0.32
GFER P55789 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
SCHEMBL2070317 0.75 CRHR1 (0.36) CRHR1KDM4EMAPK1POLBSMN1; SMN2
SCHEMBL2070072 0.75 ELANE (0.33) CRHR1MAPK1MAPTMAPK10
SCHEMBL2070502 0.74 CRHR1 (0.36) CRHR1MAPK1MAPTMAPK10
SCHEMBL2070525 0.72 PDE1A (0.39) PDE1APDE1BPDE1CKDM4EMAPK1
SCHEMBL2072373 0.71 MAPK10 (0.38) CRHR1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2069533 0.71 MAPK10 (0.36) CRHR1ALDH1A1MAPK1POLBNPC1
SCHEMBL2072012 0.68 SHMT2 (0.48) CRHR1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2071304 0.67 DRD2 (0.37) PDE1APDE1BPDE1CPDE2A
SCHEMBL2069962 0.67 C5AR1 (0.36) MAPK1SMN1; SMN2LMNATP53MAPK10
SCHEMBL2069530 0.67 CRHR1 (0.37) CRHR1KDM4EMAPK1SMN1; SMN2MAPT

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 8 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
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

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 1/4885ALDH1A1 786/4885PDE1A 908/4885

“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.