SCHEMBL7034644

SCHEMBL7034644

c1ccc2cc(CCN3CCC(Sc4cccc5cccnc45)CC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
SLC6A4 P31645 3/20 0.48
HTR1A P08908 3/20 0.42
KCNH2 Q12809 3/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
DRD4 P21917 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL7028334 0.87 MEN1 (0.43) HRH3HTR1AKCNH2ADRA1AHRH1
SCHEMBL7033311 0.83 HTR1A (0.42) SLC6A4HTR1AADRA1AADRA1BHTR2A
SCHEMBL7031671 0.81 HRH3 (0.57) HRH3SLC6A4HTR1AACHESIGMAR1
SCHEMBL7031347 0.79 HTR2A (0.51) KCNH2DRD2HTR2A
SCHEMBL7027729 0.78 HRH3 (0.48) HRH3SLC6A4HTR1AKCNH2ADRA1A
SCHEMBL7023970 0.78 KMT2A (0.48) HRH3SLC6A4HTR1AKCNH2ADRA1A
SCHEMBL7024620 0.78 P2RX7 (0.46) SLC6A4HTR1AKCNH2DRD2HTR2A
SCHEMBL27585447 0.72 HRH3 (0.42) HRH3SLC6A4HTR1AKCNH2ADRA1A
SCHEMBL6186952 0.72 HRH3 (0.69) HRH3SLC6A4HTR1AKCNH2DRD2
SCHEMBL7029836 0.70 HRH3 (0.42) HRH3SLC6A4HTR1AACHESIGMAR1

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 HRH3 142/4885SLC6A4 487/4885HTR1A 2/4885

“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.