SCHEMBL1842018

SCHEMBL1842018

CN1CCc2c(c3cccc(I)c3n2C)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
HTR6 P50406 8/20 0.55
HRH1 P35367 6/20 0.55
ADRA2A P08913 4/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
HTR1D P28221 3/20 0.55
HTR1B P28222 3/20 0.55
HTR2A P28223 3/20 0.55
HTR7 P34969 3/20 0.55
HTR2B P41595 3/20 0.55
HTR1A P08908 3/20 0.55
SLC6A4 P31645 3/20 0.55
ADRA1A P35348 3/20 0.55
SLC6A2 P23975 3/20 0.55
HRH2 P25021 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1B P35368 2/20 0.55
SIGMAR1 Q99720 2/20 0.55

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
SCHEMBL12868566 0.78 CYP1A2 (0.97) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL3863830 0.76 HDAC6 (0.50) CYP1A2SIGMAR1ALDH1A1TSHRHDAC1
SCHEMBL22055416 0.75 HDAC6 (0.49) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL1840161 0.75 HTR2C (0.50) CYP1A2CYP2D6HTR2AHTR2CKDM4E
SCHEMBL3861822 0.73 CYP1A2 (0.51) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL3857088 0.73 CYP1A2 (0.51) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL3857059 0.72 CYP1A2 (0.49) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL22054358 0.72 ADRA2A (0.61) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL16024480 0.71 DRD3 (1.00) CYP1A2CYP2D6HTR6HRH1ADRA2A
SCHEMBL12457645 0.71 HTR2A (0.71) CYP1A2CYP2D6HTR6HRH1ADRA2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581221-B1 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-05-18 EP disclosed
US-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 US disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 WO 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 (2 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-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A CYP1A2 764/4885CYP2D6 948/4885HTR6 36/4885
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D CYP1A2 432/4885CYP2D6 219/4885HTR6 12/4885

“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.