SCHEMBL8253241

SCHEMBL8253241

ICCCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2A6 P11509 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
SLC6A4 P31645 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
BCHE P06276 2/20 0.44
MC3R P41968 1/20 0.43

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
SCHEMBL29828309 0.87 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6295016 0.87 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418669 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30746339 0.87 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418043 0.85 SIGMAR1 (0.66) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL131604 0.83 CYP1A2 (0.62) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL29560700 0.82 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6240981 0.82 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL130489 0.82 CYP1A2 (0.61) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL29477161 0.81 CYP1A2 (0.65) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 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 (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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A SIGMAR1 76/4885CYP1A2 144/4885CYP2A6 688/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A SIGMAR1 76/4885CYP1A2 144/4885CYP2A6 688/4885

“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.