SCHEMBL2072033

SCHEMBL2072033

Cc1cc(C)c(-c2cn(C)c3nc(NCc4cccc(Cl)c4)n(C)c(=O)c23)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.52
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
POLB P06746 1/20 0.41
ADORA1 P30542 1/20 0.40
TSHR P16473 1/20 0.39
PDE9A O76083 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HIF1A Q16665 1/20 0.39
PDE2A O00408 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2071039 0.89 CRHR1 (0.54) CRHR1POLBTSHRMAPTGAA
SCHEMBL2071464 0.85 CRHR1 (0.53) CRHR1TSHRMAPTGAAALDH1A1
SCHEMBL12775294 0.82 CRHR1 (0.67) CRHR1MAOAMAOBMAPT
SCHEMBL2072641 0.80 CRHR1 (0.66) CRHR1TSHRMAPTALDH1A1HIF1A
SCHEMBL2072594 0.78 CRHR1 (0.46) CRHR1TSHRMAPTGAAALDH1A1
SCHEMBL2070177 0.77 CRHR1 (0.49) CRHR1GAA
SCHEMBL2072342 0.76 CRHR1 (0.57) CRHR1POLBGAAHIF1ASMN1; SMN2
SCHEMBL2071199 0.75 CRHR1 (0.52) CRHR1MAOAMAOBPOLBADORA1
SCHEMBL2073108 0.74 CRHR1 (0.63) CRHR1ALDH1A1
SCHEMBL2070099 0.73 CRHR1 (0.62) CRHR1ALDH1A1

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 7 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
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 1/4885MAOA 161/4885MAOB 226/4885

“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.