SCHEMBL7027414

SCHEMBL7027414

O=S(=O)(c1cccc2oc3ccccc3c12)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
PKM P14618 1/20 0.45
KCNH2 Q12809 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KCNJ1 P48048 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7029577 0.83 GPR183 (0.54) MEN1KMT2APKMKCNH2HTR2A
SCHEMBL7028323 0.80 POLB (0.50) MEN1KMT2APKMKCNH2HTR2A
SCHEMBL7027996 0.78 MEN1 (0.49) MEN1KMT2APKMKCNH2HTR2A
SCHEMBL7031186 0.77 KMT2A (0.60) MEN1KMT2AMTORPKMHTR2A
SCHEMBL7022823 0.76 PKM (0.64) MEN1KMT2APKMKCNH2HTR2A
SCHEMBL7032577 0.75 POLB (0.64) MEN1KMT2APKMKCNH2KCNJ1
Hydrochloric Acid SCHEMBL27565691 0.75 PKM (0.63) MEN1KMT2APKMKCNH2HTR2A
SCHEMBL7027267 0.74 KMT2A (0.68) MEN1KMT2APKMALDH1A1GAA
SCHEMBL7029110 0.74 PRKD3 (0.57) MEN1KMT2AKCNH2HTR2AKDM4E
SCHEMBL7026165 0.74 KCNH2 (0.69) MEN1KMT2APKMKCNH2HTR2A

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 3 patents. 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
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO 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 MEN1 3253/4885KMT2A 472/4885PIK3CD 2126/4885

“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.