SCHEMBL8434667

SCHEMBL8434667

CCCCn1ccc2ccc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.56
HTR2A P28223 4/20 0.56
HTR7 P34969 1/20 0.55
P2RX7 Q99572 1/20 0.51
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
GRIN2B Q13224 1/20 0.44
ICMT O60725 1/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL14155057 0.95 HTR2C (0.55) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL8435460 0.90 HTR2C (0.59) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL18856954 0.87 HTR2C (0.56) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL5235415 0.83 HTR2C (0.56) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL5635097 0.83 HTR2C (0.53) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL12605578 0.82 HTR2C (0.63) HTR2CHTR2AHTR7P2RX7
SCHEMBL18856949 0.82 HTR2A (0.55) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL5237341 0.82 HTR2C (0.55) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL5792293 0.82 P2RX7 (0.53) HTR2CHTR2AHTR7P2RX7CDK4
SCHEMBL9994959 0.82 P2RX7 (0.53) HTR2CHTR2AHTR7P2RX7CDK4

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 HTR2C 1/4885HTR2A 2/4885HTR7 14/4885

“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.