SCHEMBL4697395

SCHEMBL4697395

COCCN(C(=O)COC)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.49
ATM Q13315 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
OXTR P30559 2/20 0.33
AVPR2 P30518 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
HTR2C P28335 1/20 0.32
AVPR1A P37288 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL4697786 0.84 CRHR1 (0.62) CRHR1
Hydrochloric Acid SCHEMBL4701196 0.83 CRHR1 (0.61) CRHR1
Hydrochloric Acid SCHEMBL4700557 0.80 CRHR1 (0.58) CRHR1
SCHEMBL4698851 0.80 CRHR1 (0.58) CRHR1
Hydrochloric Acid SCHEMBL4697945 0.79 CRHR1 (0.57) CRHR1
SCHEMBL4697350 0.75 ATM (0.42) CRHR1ATMALDH1A1HPGDRXFP1
SCHEMBL3366236 0.74 CRHR1 (0.44) CRHR1
SCHEMBL4701741 0.74 CRHR1 (0.60) CRHR1
Hydrochloric Acid SCHEMBL3365029 0.73 CRHR1 (0.43) CRHR1
Hydrochloric Acid SCHEMBL4700017 0.73 CRHR1 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 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 (2 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH CRHR1 1/4885ATM 3871/4885ALDH1A1 1289/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 CRHR1 1/4885ATM 4100/4885ALDH1A1 1266/4885

“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.