SCHEMBL2069863

SCHEMBL2069863

CCOC(=O)c1ccn(-c2c(C)cc(C)cc2C)c1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA7 P43166 5/20 0.41
CA9 Q16790 5/20 0.41
CA14 Q9ULX7 5/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL2070984 0.81 KDM4E (0.46) TSHRKMT2AALDH1A1KDM4EGAA
SCHEMBL31454211 0.72 JMJD6 (0.48) TSHRKMT2AALDH1A1KDM4EGAA
SCHEMBL5863334 0.72 TSHR (0.52) TSHRCYP1A2CYP3A4CA12CA1
SCHEMBL20234069 0.70 TSHR (0.52) TSHRCYP1A2CYP3A4CYP2C19CA12
SCHEMBL29668381 0.70 MEN1 (0.60) TSHRCYP1A2CYP3A4CYP2C19CA12
SCHEMBL1107151 0.70 MEN1 (0.60) TSHRCYP1A2CYP3A4CYP2C19CA12
SCHEMBL28373164 0.69 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C19CA12CA1
SCHEMBL6846542 0.69 ALDH1A1 (0.47) TSHRCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL6136982 0.67 KDM4E (0.59) TSHRCYP1A2CYP3A4CYP2C19CA12
SCHEMBL21730568 0.67 CYP3A4 (0.49) TSHRCYP1A2CYP3A4CYP2C19CA12

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 3 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-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 TSHR 311/4885CYP1A2 246/4885CYP3A4 759/4885

“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.