SCHEMBL2070606

SCHEMBL2070606

CCCN(CCC)Cc1cc(CO)c(=O)n2c(-c3c(C)cc(C)cc3C)cccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.36
▸ ICMT O60725 1/20 0.35
▸ CRHR1 P34998 13/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ HPGD P15428 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
SCHEMBL2069965 0.89 ICMT (0.37) ABCB1ICMTCRHR1
SCHEMBL2069544 0.83 CRHR1 (0.42) ABCB1CRHR1
SCHEMBL2070173 0.83 KDM4E (0.48) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL2070845 0.75 CRHR1 (0.42) CRHR1
SCHEMBL2071119 0.74 KDM4E (0.50) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL1386911 0.72 CRHR1 (0.44) CRHR1
SCHEMBL2069178 0.70 CRHR1 (0.40) CRHR1ALDH1A1
SCHEMBL2070816 0.70 CRHR1 (0.39) CRHR1
SCHEMBL2070006 0.70 CRHR1 (0.39) CRHR1
SCHEMBL2070350 0.69 CRHR1 (0.43) CRHR1

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 ABCB1 823/4885ICMT 2251/4885CRHR1 1/4885

“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.

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