SCHEMBL7029919

SCHEMBL7029919

Cc1ccccc1SC1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CACNA1G O43497 1/20 0.41
HTR2A P28223 4/20 0.41
DRD2 P14416 2/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 6/20 0.41
KCNH2 Q12809 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2C P28335 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7026523 0.88 HTR1A (0.40) KMT2AMEN1GAACACNA1GHTR2A
SCHEMBL7030766 0.88 HTR2A (0.54) KMT2AMEN1GAAHTR2ADRD2
SCHEMBL7032862 0.85 HRH3 (0.47) KMT2ACACNA1GHTR2ADRD2OPRM1
SCHEMBL7029871 0.82 HTR2A (0.47) KMT2AMEN1GAAHTR2AOPRM1
SCHEMBL7027370 0.80 CARM1 (0.48) CACNA1GHTR2ADRD2KCNH2CARM1
SCHEMBL7031635 0.79 HTR2A (0.57) HTR2ADRD2KCNH2HTR2C
SCHEMBL7024605 0.78 HTR2A (0.49) HTR2ADRD2HTR1ASLC6A4
Ammonia Solution, Strong SCHEMBL27785552 0.76 ACHE (0.59) CACNA1GOPRM1KCNH2SIGMAR1CARM1
SCHEMBL7028587 0.75 HTR2A (0.49) HTR2ADRD2OPRM1KCNH2SIGMAR1
SCHEMBL7023957 0.74 HTR2A (0.49) HTR2AHTR2C

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 KMT2A 472/4885MEN1 3253/4885GAA 785/4885

“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.