SCHEMBL7028334

SCHEMBL7028334

Fc1ccc(CCN2CCC(Sc3cccc4cccnc34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
PRCP P42785 2/20 0.43
HTR2A P28223 4/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7034644 0.87 HRH3 (0.51) HTR2AHTR1ADRD2NOS3NOS1
SCHEMBL7031347 0.85 HTR2A (0.51) HTR2ADRD2HTR2CKCNH2
SCHEMBL7024620 0.84 P2RX7 (0.46) MEN1NPC1RAB9AKMT2AHTR2A
SCHEMBL7027681 0.81 HTR2A (0.49) PRCPHTR2AHTR1ADRD2HTR2C
SCHEMBL7033311 0.80 HTR1A (0.42) HTR2AHTR1AHTR2CHTR7KDM4E
SCHEMBL7501576 0.80 KCNH2 (0.49) PRCPHTR2AHTR1ADRD2HTR2C
SCHEMBL7023957 0.79 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7028399 0.78 PRCP (0.50) PRCPHTR2AHTR1ADRD2HTR2C
SCHEMBL7028719 0.77 HTR2A (0.48) HTR2AHTR2CHTR7HTR6
SCHEMBL7022347 0.77 HTR2A (0.50) HTR2AHTR2CHTR7HTR6

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 3253/4885NPC1 1592/4885RAB9A 2001/4885

“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.