SCHEMBL17847157

SCHEMBL17847157

O=C(O)C(c1ccc(Br)cc1Cl)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.37
CNR1 P21554 5/20 0.37
CNR2 P34972 3/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRD1 P41143 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
SCHEMBL11855303 0.85 CNR1 (0.48) RAB9ASLC6A3NPSR1MAPK1CNR1
SCHEMBL11857028 0.84 CNR1 (0.49) RAB9ASLC6A3NPSR1CNR1CNR2
SCHEMBL17857838 0.83 SLC6A3 (0.59) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL17846950 0.82 CNR1 (0.49) LMNACNR1CNR2
SCHEMBL10895844 0.81 SLC6A3 (0.41) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL17847041 0.77 SLC6A3 (0.39) RAB9ASMN1; SMN2NPC1KMT2AHTT
SCHEMBL2788659 0.77 TAS1R3 (0.45) RAB9ALMNANPC1HPGDKMT2A
SCHEMBL1564941 0.74 HTR1E (0.47) RAB9ALMNANPC1KMT2A
SCHEMBL17846888 0.74 HTR1E (0.47) RAB9ALMNANPC1KMT2A
SCHEMBL10006283 0.73 CNR1 (0.49) KMT2ACNR1CNR2

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-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
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

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 RAB9A 3387/4885LMNA 2941/4885SMN1; SMN2 3977/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 RAB9A 3387/4885LMNA 2941/4885SMN1; SMN2 3977/4885

“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.