SCHEMBL7076053

SCHEMBL7076053

Cc1cc(C)c(-n2c3c(c4c(N5CCNCC5)cc(C)nc42)CCCC3)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.39
NCF1 P14598 2/20 0.39
ADRB2 P07550 2/20 0.39
PRKCZ Q05513 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
CRHR1 P34998 2/20 0.34
HTR1A P08908 6/20 0.34
HTR3A P46098 6/20 0.34
HTR6 P50406 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
Cadaverine Tartrate SCHEMBL7075916 0.91 NCF1 (0.35) ADRB1NCF1ADRB2PRKCZTAAR1
SCHEMBL7076057 0.80 TAAR1 (0.40) ADRB1NCF1ADRB2TAAR1HTR2A
SCHEMBL7071736 0.77 KDM4E (0.38) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7215494 0.77 KDM4E (0.38) CRHR1KDM4EALDH1A1CASP1CASP7
SCHEMBL7681552 0.77 NCF1 (0.52) ADRB1NCF1ADRB2HTR2AHTR2C
SCHEMBL7684787 0.76 NCF1 (0.55) ADRB1NCF1ADRB2HTR2AHTR2C
SCHEMBL7621565 0.75 ADRB1 (0.43) ADRB1NCF1ADRB2TAAR1HTR2A
SCHEMBL7079153 0.74 CRHR1 (0.36) CRHR1KDM4EALDH1A1CASP1CASP7
Cadaverine Tartrate SCHEMBL7075912 0.72 HTR6 (0.36) ADRB1NCF1ADRB2TAAR1HTR2A
SCHEMBL7981205 0.72 CRHR1 (0.35) CRHR1KDM4EALDH1A1CASP1CASP7

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 3 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
US-6291473-B1 TREATING ANXIETY, DEPRESSION, POST-TRAUMATIC STRESS DISORDER, INFLAMMATORY DISEASES, OBESITY, IN MAMMALS NEUROGEN CORPORATION 2001-09-18 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 ADRB1 16/4885NCF1 3525/4885ADRB2 91/4885

“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.