SCHEMBL7792997

SCHEMBL7792997

Cc1cc(C)c(-n2c3ccccc3c3c(NCC(N)=O)nc(C)nc32)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.54
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
IKBKB O14920 1/20 0.36
PDE10A Q9Y233 1/20 0.35
DPP4 P27487 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OGFRL1 Q5TC84 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL7788894 0.84 CRHR1 (0.62) CRHR1KDM4EIKBKBTDP1
SCHEMBL7792967 0.82 CRHR1 (0.57) CRHR1TDP1
SCHEMBL7788887 0.82 CRHR1 (0.55) CRHR1TDP1
SCHEMBL7557048 0.80 CRHR1 (0.52) CRHR1KDM4E
SCHEMBL7783159 0.80 CRHR1 (0.53) CRHR1ALDH1A1TDP1
SCHEMBL7788921 0.78 CRHR1 (0.49) CRHR1KDM4EALDH1A1
SCHEMBL7681407 0.78 CRHR1 (0.54) CRHR1KDM4EALDH1A1TDP1
SCHEMBL7555469 0.77 CRHR1 (0.58) CRHR1DPP4TDP1
SCHEMBL7783154 0.77 CRHR1 (0.50) CRHR1KDM4EALDH1A1
SCHEMBL7791789 0.76 MAPT (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031758-A1 Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands NEUROGEN CORPORATION 2001-10-18 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-20010031758-A1 Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands NPY1R, NPY2R, NPY5R CRHR1 33/4885KDM4E 2474/4885ALDH1A1 3312/4885

“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.