SCHEMBL7032015

SCHEMBL7032015

Cn1cnc2c(SC3CCN(CCc4ccc(F)cc4)CC3)nccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL7028860 0.83 HTR2A (0.41) HTR2AHTR2CHTR7HTR6
SCHEMBL7103560 0.79 KDM4A (0.44) HTR2AHTR2CHTR7HTR6
SCHEMBL7106088 0.79 HTR2A (0.39) HTR2AHTR2CHTR7HTR6
SCHEMBL7025857 0.78 HTR2A (0.39) HTR2AHTR2CHTR7HTR6
SCHEMBL7030349 0.78 HTR2A (0.43) HTR2AHTR2CHTR7HTR6
SCHEMBL7026932 0.77 OPRM1 (0.45) HTR2AHTR2CHTR7HTR6
SCHEMBL7029318 0.76 HTR2A (0.45) HTR2AHTR2CHTR7HTR6
SCHEMBL7027762 0.75 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7027681 0.75 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL10746648 0.74 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAATSHR

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 HTR2A 1/4885HTR2C 5/4885HTR7 19/4885

“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.