SCHEMBL7025595

SCHEMBL7025595

CCOC(=O)c1ccccc1SC1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
TMEM97 Q5BJF2 2/20 0.50
HTR2A P28223 6/20 0.49
GRM2 Q14416 3/20 0.49
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 1/20 0.47
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL7026573 0.86 HTR2A (0.53) OPRM1TMEM97HTR2AGRM2HTR2C
SCHEMBL7030073 0.81 OPRM1 (0.49) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL7029871 0.81 HTR2A (0.47) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL7031291 0.79 OPRM1 (0.49) OPRM1TMEM97HTR2AGRM2HTR2C
SCHEMBL7022880 0.79 HTR2A (0.53) TMEM97HTR2AGRM2HTR2CDRD2
SCHEMBL7023753 0.78 HTR2A (0.50) HTR2AGRM2HTR2CHTR7HTR6
SCHEMBL7023957 0.78 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7022347 0.76 HTR2A (0.50) HTR2AHTR2CHTR7HTR6
SCHEMBL7024132 0.76 HTR2A (0.47) TMEM97HTR2AHTR2CHTR7DRD2
SCHEMBL4232561 0.75 HTR2A (0.64) OPRM1TMEM97HTR2AGRM2HTR2C

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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A OPRM1 37/4885TMEM97 150/4885HTR2A 1/4885

“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.