SCHEMBL7783147

SCHEMBL7783147

Cc1cc(C)c(-n2c3ccccc3c3c(NCCN)cc(C)nc32)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.53
NPY1R P25929 1/20 0.41
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.36
NCF1 P14598 2/20 0.36
TP53 P04637 1/20 0.35
G6PD P11413 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7676276 0.90 CRHR1 (0.49) CRHR1ALDH1A1CYP2C19NCF1TP53
SCHEMBL7788156 0.85 CRHR1 (0.47) CRHR1TP53G6PD
SCHEMBL7788894 0.83 CRHR1 (0.62) CRHR1NPY1RCA12CA3CA4
SCHEMBL7675031 0.83 CRHR1 (0.45) CRHR1
SCHEMBL7791105 0.81 CRHR1 (0.41) CRHR1NPY1RCYP2C19
SCHEMBL7783161 0.81 CRHR1 (0.54) CRHR1NPY1RCA12CA3CA4
SCHEMBL7788159 0.79 NPY1R (0.52) CRHR1NPY1RALDH1A1TP53
SCHEMBL7788181 0.79 CRHR1 (0.50) CRHR1
SCHEMBL7677887 0.79 CRHR1 (0.45) CRHR1ALDH1A1TSHRTP53G6PD
SCHEMBL7677531 0.79 CRHR1 (0.53) CRHR1ALDH1A1TSHRHSD17B10CYP2C19

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 4 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
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 disclosed
US-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 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 (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 33/4885NPY1R 1/4885CA12 4771/4885

“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.