SCHEMBL7079153

SCHEMBL7079153

Cc1cc(C)c(-n2c3c(c4c(NC(C)C)cc(C)nc42)CCCC3)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR4A2 P43354 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL7981205 0.84 CRHR1 (0.35) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7071347 0.82 CRHR1 (0.36) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7215494 0.80 KDM4E (0.38) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7071736 0.80 KDM4E (0.38) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7217519 0.76 CRHR1 (0.53) CRHR1
SCHEMBL7076053 0.74 ADRB1 (0.39) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7215696 0.73 CRHR1 (0.69) CRHR1
SCHEMBL7076556 0.73 CRHR1 (0.41) CRHR1
SCHEMBL7075873 0.73 CRHR1 (0.41) CRHR1
SCHEMBL7217860 0.71 CRHR1 (0.49) CRHR1

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-20030105117-A1 Aminoalkyl substituted 5,6,7,8-tetrahydro-9H-pyridino[2,3-b]indole and 5,6,7,8-tetrahydro-9H-pyrimidino[4,5-b]indole derivatives: CRF1 specific ligands NEUROGEN CORPORATION 2003-06-05 US disclosed
US-6472402-B1 Aminoalkyl substituted 5,6,7,8-Tetrahydro-9H-Pyridino [2,3-B]indole derivatives NEUROGEN CORPORATION 2002-10-29 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-20030105117-A1 Aminoalkyl substituted 5,6,7,8-tetrahydro-9H-pyridino[2,3-b]indole and 5,6,7,8-tetrahydro-9H-pyrimidino[4,5-b]indole derivatives: CRF1 specific ligands GPR119, CRHR1, IRS1 CRHR1 2/4885KDM4E 3601/4885ALDH1A1 1151/4885

“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.