SCHEMBL5348697

SCHEMBL5348697

Cc1ccc2c(OCCBr)cc(Cl)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 9/20 0.46
POLB P06746 1/20 0.43
HTR1D P28221 7/20 0.42
HTR1B P28222 7/20 0.42
HTR1A P08908 6/20 0.42
ADRB1 P08588 3/20 0.41
DRD2 P14416 3/20 0.41
HTR7 P34969 3/20 0.41
DRD3 P35462 3/20 0.41
HTR6 P50406 1/20 0.41
NR4A2 P43354 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NCF1 P14598 1/20 0.36

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
SCHEMBL5341791 0.84 HTR1D (0.41) S1PR4HTR1DHTR1BHTR1AADRB1
SCHEMBL5206891 0.78 HTR1D (0.56) HTR1DHTR1BHTR1ADRD2HTR7
SCHEMBL2127198 0.73 S1PR4 (0.57) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL5258862 0.71 POLB (0.56) S1PR4POLBNR4A2LMNAMAPT
SCHEMBL5218695 0.70 S1PR4 (0.36) S1PR4HTR1DHTR1BHTR1ALMNA
SCHEMBL3268764 0.70 KDM4E (0.39) S1PR4HTR1DHTR1BHTR1AADRB1
SCHEMBL5216844 0.70 NCF1 (0.44) S1PR4HTR1DHTR1BHTR1ANCF1
SCHEMBL2881216 0.68 POLB (0.53) POLBNR4A2LMNAMAPT
SCHEMBL3268831 0.68 NCF1 (0.52) NCF1
SCHEMBL8676178 0.65 CCR1 (0.42) S1PR4POLBLMNAMAPTHPGD

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-7214674-B2 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1480974-A1 HETEROCYCLYLMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors HTR1A, HTR1D, HTR2C S1PR4 1904/4885POLB 3713/4885HTR1D 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.