SCHEMBL17847010

SCHEMBL17847010

O=C(O)C(c1ccc(Br)c(Cl)c1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.53
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA3 P32297 1/20 0.40

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
SCHEMBL1565214 0.86 SLC6A3 (0.69) SLC6A3SLC6A2SLC6A4
SCHEMBL1565823 0.85 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL4627138 0.83 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL17846874 0.82 SLC6A3 (0.44) SLC6A3MEN1LMNAALOX12HTT
SCHEMBL17846902 0.82 SLC6A3 (0.41) SLC6A3MEN1LMNAHTTKMT2A
SCHEMBL17846913 0.79 SLC6A3 (0.38) SLC6A3MEN1LMNAHTTKMT2A
SCHEMBL1565129 0.79 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4HPGDSMN1; SMN2
SCHEMBL17846888 0.78 HTR1E (0.47) MEN1LMNAKMT2A
SCHEMBL1564941 0.78 HTR1E (0.47) MEN1LMNAKMT2A
SCHEMBL1565904 0.78 MEN1 (0.47) SLC6A3SLC6A2SLC6A4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3233802-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 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 (2 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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 SLC6A3 3690/4885SLC6A2 4448/4885SLC6A4 3749/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 SLC6A3 3690/4885SLC6A2 4448/4885SLC6A4 3749/4885

“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.