SCHEMBL7020892

SCHEMBL7020892

COc1ccc([S+]([O-])C2CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
HTR1A P08908 2/20 0.53
SLC6A4 P31645 2/20 0.53
HRH3 Q9Y5N1 2/20 0.52
CACNA1G O43497 1/20 0.49
KCNH2 Q12809 2/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
EED O75530 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.48
HLA-A P04439 1/20 0.48
ERBB2 P04626 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48

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
SCHEMBL7027090 0.90 HTR2A (0.52) KCNH2HTR2AHTR2CHTR7HTR6
SCHEMBL7030060 0.87 HTR2A (0.47) HRH3KCNH2HTR2AHTR2CHTR7
SCHEMBL7029637 0.87 HRH3 (0.49) HRH3KCNH2HTR2AHTR2CHTR7
SCHEMBL7022496 0.86 SLC6A4 (0.43) HTR1ASLC6A4HTR2AHTR2CHTR7
SCHEMBL7028266 0.85 HTR2A (0.48) SIGMAR1HTR1ASLC6A4KCNH2ABCB1
SCHEMBL7030755 0.85 SIGMAR1 (0.50) SIGMAR1CACNA1GHTR2AHTR2CHTR7
SCHEMBL7031770 0.84 HTR2A (0.50) KCNH2HTR2AHTR2CHTR7HTR6
SCHEMBL27568470 0.84 HTR2A (0.47) KCNH2HTR2AHTR2CHTR7HTR6
SCHEMBL7023032 0.84 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7031382 0.84 HTR1A (0.54) SIGMAR1HTR1ASLC6A4HRH3KCNH2

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 4 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
CN-1394203-A As 5-HT2APiperidine and piperazine derivatives of receptor antagonists MERCK PATENT GMBH (DE) 2003-01-29 CN 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 SIGMAR1 245/4885HTR1A 2/4885SLC6A4 487/4885

“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.