SCHEMBL6892646

SCHEMBL6892646

CCCCNc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCC2

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.74
NPSR1 Q6W5P4 2/20 0.67
HPGD P15428 1/20 0.67
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL2402803 0.95 CRHR1 (0.70) CRHR1NPSR1HPGDMAPT
Hydrochloric Acid SCHEMBL2403782 0.95 CRHR1 (0.69) CRHR1NPSR1HPGDMAPT
SCHEMBL13139625 0.92 CRHR1 (0.78) CRHR1HPGDMAPTALDH1A1
SCHEMBL2404407 0.89 CRHR1 (0.69) CRHR1NPSR1HPGDMAPTALDH1A1
SCHEMBL2402995 0.88 CRHR1 (0.84) CRHR1
SCHEMBL2401787 0.87 CRHR1 (0.77) CRHR1
Hydrochloric Acid SCHEMBL2406976 0.87 CRHR1 (0.82) CRHR1
SCHEMBL2401226 0.86 CRHR1 (0.79) CRHR1NPSR1MAPTALDH1A1
Hydrochloric Acid SCHEMBL3608713 0.86 CRHR1 (0.76) CRHR1
SCHEMBL2402804 0.86 CRHR1 (0.70) CRHR1HPGDMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US claimed

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-20040072833-A1 Tricyclic and heterocyclic derivative compounds and drugs containing these compounds as the active ingredient CRH, CRHR1, CRHR2 CRHR1 2/4885NPSR1 12/4885HPGD 738/4885

“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.