SCHEMBL7788905

SCHEMBL7788905

COc1ccc(CCNCCNc2cc(C)nc3c2c2ccccc2n3-c2cc(C)cc(C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.49
ABCB1 P08183 2/20 0.43
GAA P10253 1/20 0.42
ACP1 P24666 6/20 0.41
KCNH2 Q12809 1/20 0.40
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CD38 P28907 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7788159 0.90 NPY1R (0.52) NPY1RABCB1GAAACP1KCNH2
SCHEMBL7791107 0.78 SMPD1 (0.44) ABCB1GAALMNAALDH1A1MAPT
SCHEMBL7791844 0.75 NPY1R (0.43) NPY1RGAALMNAALDH1A1MAPT
SCHEMBL7783153 0.75 NPY1R (0.43) NPY1RGAALMNAALDH1A1MAPT
SCHEMBL7783150 0.74 RECQL (0.38) NPY1RABCB1GAALMNAALDH1A1
SCHEMBL9067860 0.71 ALDH1A1 (0.61) ACP1LMNAALDH1A1MAPTMEN1
SCHEMBL7676276 0.69 CRHR1 (0.49) ALDH1A1MEN1KMT2ARXFP1TP53
SCHEMBL7783147 0.68 CRHR1 (0.53) NPY1RALDH1A1TP53
SCHEMBL7791105 0.68 CRHR1 (0.41) NPY1RCD38MEN1KMT2A
SCHEMBL7792988 0.67 MAPT (0.48) GAALMNAMAPTMEN1KMT2A

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 2 patents. 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
US-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 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 NPY1R 1/4885ABCB1 3180/4885GAA 3990/4885

“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.