SCHEMBL18700757

SCHEMBL18700757

CN(C(=O)C1CCCC(=O)C1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
CCR5 P51681 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.38
MGLL Q99685 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
LIPE Q05469 1/20 0.36
FAAH O00519 1/20 0.36
PHGDH O43175 1/20 0.36
TP53 P04637 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL18700771 0.81 THRB (0.45) THRB
SCHEMBL9001707 0.80 CCR5 (0.49) RAB9ACCR5NPC1KMT2AHPGD
SCHEMBL9001740 0.77 CCR5 (0.47) RAB9ACCR5NPC1KMT2AHPGD
SCHEMBL9001727 0.77 MGLL (0.44) RAB9ACCR5NPC1KMT2AHPGD
SCHEMBL8271683 0.77 FAAH (0.47) RAB9ACCR5NPC1KMT2AHPGD
SCHEMBL9001724 0.77 FAAH (0.47) RAB9ACCR5NPC1KMT2AHPGD
SCHEMBL9001721 0.77 CCR5 (0.46) RAB9ACCR5NPC1KMT2AHPGD
SCHEMBL29224228 0.75 THRB (0.47) HPGDTHRBKDM4EALDH1A1
SCHEMBL29224511 0.75 THRB (0.47) HPGDTHRBKDM4EALDH1A1
SCHEMBL9001730 0.75 MGLL (0.45) RAB9ACCR5NPC1KMT2AHPGD

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
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-16 US disclosed
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-16 US disclosed
US-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-10-04 US disclosed
EP-3371167-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-09-12 EP disclosed
WO-2017060855-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060855-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 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-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 RAB9A 2980/4885CCR5 2693/4885NPC1 576/4885
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 RAB9A 2980/4885CCR5 2693/4885NPC1 576/4885

“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.