SCHEMBL4018668

SCHEMBL4018668

O=C1OCCN1c1cccc(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1B Q8NB78 2/20 0.41
RCOR1 Q9UKL0 2/20 0.41
SLC9A3 P48764 1/20 0.41
NAAA Q02083 8/20 0.40
FAAH O00519 2/20 0.40
TNKS O95271 1/20 0.36
KCNJ1 P48048 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
SCHEMBL4017984 0.93 ALOX5 (0.43) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL8413923 0.88 HTR1A (0.49) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL13853420 0.85 HTR1A (0.46) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL7904237 0.85 MGLL (0.50) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL2883416 0.84 HTR1A (0.45) HTR1AHTR1DHTR1BDRD2HTR2A
Hydrochloric Acid SCHEMBL4234312 0.84 HTR1A (0.45) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL2882743 0.82 HTR1A (0.49) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4017325 0.81 ALOX5 (0.42) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL2885518 0.80 NAAA (0.48) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4004501 0.80 HSD11B1 (0.52) HTR1AHTR1DHTR1BDRD2HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126339-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-02-08 EP disclosed
US-20170022171-A1 2,5-DISUBSTITUTED CYCLOPENTANECARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
WO-2015150363-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
WO-2015150366-A1 CYCLICALLY SUBSTITUTED PHENOL ETHER DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 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-20170022171-A1 2,5-DISUBSTITUTED CYCLOPENTANECARBOXYLIC ACIDS AND THEIR USE PC, PYCR1, PCCA HTR1A 3064/4885HTR1D 3384/4885HTR1B 3002/4885

“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.