SCHEMBL8430623

SCHEMBL8430623

CCCCn1ccc2ccc(Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.59
HTR7 P34969 2/20 0.55
ACLY P53396 1/20 0.46
KCNA3 P22001 4/20 0.46
MCL1 Q07820 4/20 0.46
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
OXER1 Q8TDS5 1/20 0.41
SCN2A Q99250 1/20 0.40

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
SCHEMBL8430621 0.90 KMO (0.62) KMOHTR7ACLYKCNA3MCL1
SCHEMBL18856955 0.87 HTR2A (0.56) KMOHTR7ACLYKCNA3MCL1
SCHEMBL9995332 0.83 KMO (0.59) KMOHTR7ACLYMCL1CDK4
SCHEMBL10311228 0.82 KMO (0.57) KMOHTR7ACLYKCNA3MCL1
SCHEMBL18856947 0.82 HTR2A (0.55) KMOHTR7ACLYKCNA3CDK4
SCHEMBL4651648 0.80 KDM4E (0.53) KMOMCL1CDK4CCND1HTR2A
SCHEMBL8434667 0.80 HTR2C (0.56) HTR7CDK4CCND1HTR2AHTR2C
SCHEMBL19526836 0.80 HTR7 (0.57) KMOHTR7MCL1CDK4CCND1
SCHEMBL27812843 0.80 CDK4 (0.44) MCL1CDK4CCND1HTR2AHTR2C
SCHEMBL4943951 0.78 SCN9A (0.45) ACLYCDK4CCND1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A KMO 342/4885HTR7 14/4885ACLY 4625/4885

“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.