SCHEMBL2072012

SCHEMBL2072012

CCC(CC)n1[nH]c(=O)c2c(-c3ccc(C)cc3C)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
CRHR1 P34998 2/20 0.33
MAPK10 P53779 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 2/20 0.32
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA2 P47869 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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 0.77 CRHR1 (0.36) SMN1; SMN2TSHRELANEMAPTGAA
SCHEMBL2069530 0.75 CRHR1 (0.37) SMN1; SMN2TSHRELANEMAPTGAA
SCHEMBL2072373 0.75 MAPK10 (0.38) SMN1; SMN2ALDH1A1TSHRELANEMAPT
SCHEMBL2069962 0.71 C5AR1 (0.36) SMN1; SMN2ELANEMAPK10LMNAMAPK1
SCHEMBL2072203 0.70 CRHR1 (0.34) ELANECRHR1MAPK10GABRG2GABRB3
SCHEMBL2070072 0.69 ELANE (0.33) TSHRELANEMAPTGAACRHR1
SCHEMBL2070219 0.69 CRHR1 (0.35) TSHRELANEMAPTGAACRHR1
SCHEMBL2072250 0.69 ELANE (0.33) TSHRELANEMAPTGAACRHR1
SCHEMBL2070044 0.68 ELANE (0.33) ELANEMAPTCRHR1MAPK10LMNA
SCHEMBL2069851 0.68 CRHR1 (0.34) TSHRELANECRHR1MAPK10MAPK1

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 SHMT2 3598/4885SMN1; SMN2 4009/4885ALDH1A1 786/4885

“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.