SCHEMBL7028836

SCHEMBL7028836

COc1ccc(SC2CCN(CCc3ccc(F)cc3)CC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
SLC6A4 P31645 3/20 0.56
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 1/20 0.48
HTR2A P28223 2/20 0.48
GRM2 Q14416 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
DRD1 P21728 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNH2 Q12809 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
EHMT2 Q96KQ7 1/20 0.47

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
SCHEMBL7022880 0.86 HTR2A (0.53) HTR2AGRM2DRD2ADRA2BDRD1
SCHEMBL7024073 0.84 SIGMAR1 (0.56) ALDH1A1GAAHSD17B10SIGMAR1ADRA1B
SCHEMBL7029794 0.83 SIGMAR1 (0.57) HTR1ASLC6A4GAASIGMAR1HTR2A
SCHEMBL7031658 0.80 HTR2A (0.49) HTR1ASLC6A4SIGMAR1HTR2AGRM2
SCHEMBL7031328 0.79 HTR2A (0.49) SLC6A4HTR2AHTR2CKCNH2
SCHEMBL7031336 0.77 HTR2A (0.45) HTR1ASLC6A4HTR2AHTR2CHRH3
SCHEMBL7031382 0.77 HTR1A (0.54) HTR1ASLC6A4ALDH1A1GAAHSD17B10
SCHEMBL7023864 0.77 HTR1A (0.54) HTR1ASLC6A4ALDH1A1GAAHSD17B10
SCHEMBL7027592 0.75 HTR2A (0.45) HTR1ASIGMAR1HTR2ADRD2DRD1
SCHEMBL7029871 0.75 HTR2A (0.47) GAAHTR2AHTR2CTMEM97

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 HTR1A 2/4885SLC6A4 487/4885ALDH1A1 1478/4885

“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.