SCHEMBL7791102

SCHEMBL7791102

CCCOc1ccc(CCNCCc2c(N)c(C)nc3c2c2ccccc2n3-c2c(C)cc(C)cc2C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
CRHR1 P34998 1/20 0.38
ADRB2 P07550 6/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SMPD1 P17405 1/20 0.36
APP P05067 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL7792988 0.76 MAPT (0.48) CRHR1MEN1KMT2ALMNAOXTR
SCHEMBL7783151 0.72 HSD17B10 (0.43) MEN1KMT2AHTTMAPT
SCHEMBL7791863 0.71 TP53 (0.42) CRHR1LMNAHTTRXFP1APP
SCHEMBL7783150 0.70 RECQL (0.38) MEN1KMT2ALMNAOXTRAVPR1A
SCHEMBL7791107 0.70 SMPD1 (0.44) MEN1KMT2ALMNAOXTRAVPR1A
SCHEMBL7788159 0.67 NPY1R (0.52) CRHR1MEN1KMT2ALMNARXFP1
SCHEMBL6103775 0.67 CRHR1 (0.56) CRHR1LMNAHTTPKMMAPT
SCHEMBL7783154 0.65 CRHR1 (0.50) CRHR1MEN1KMT2ALMNAHTT
SCHEMBL7791789 0.65 MAPT (0.42) CRHR1MEN1KMT2ALMNAHTT
SCHEMBL7676276 0.62 CRHR1 (0.49) CRHR1MEN1KMT2ARXFP1

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 SIGMAR1 211/4885CRHR1 33/4885ADRB2 101/4885

“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.