SCHEMBL8435459

SCHEMBL8435459

CCCCc1csc2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.58
MTNR1B P49286 2/20 0.58
CA2 P00918 1/20 0.50
MAPT P10636 3/20 0.42
MPO P05164 3/20 0.42
TYR P14679 1/20 0.41
CYP2A6 P11509 2/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL8435339 0.90 MTNR1A (0.61) MTNR1AMTNR1BCA2MAPTMPO
SCHEMBL8648779 0.84 MTNR1A (0.58) MTNR1AMTNR1BCA2MAPTMPO
SCHEMBL5234280 0.84 MTNR1A (0.55) MTNR1AMTNR1BCA2MAPTMPO
SCHEMBL6985740 0.84 MTNR1A (0.55) MTNR1AMTNR1BCA2MAPTMPO
SCHEMBL6003503 0.83 MTNR1A (0.60) MTNR1AMTNR1BCA2MAPTCYP2A6
SCHEMBL2094883 0.81 MTNR1A (0.52) MTNR1AMTNR1BCA2MAPTMPO
SCHEMBL14155103 0.81 MTNR1A (0.45) MTNR1AMTNR1BCA2TYRCYP2A6
SCHEMBL8435709 0.81 CYP2A6 (0.61) MTNR1ACA2MAPTCYP2A6
SCHEMBL8586113 0.80 MTNR1A (0.57) MTNR1AMTNR1BCA2MAPTMPO
SCHEMBL27628031 0.80 MTNR1A (0.57) MTNR1AMTNR1BCA2MAPTCYP2A6

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 MTNR1A 77/4885MTNR1B 79/4885CA2 1844/4885

“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.