SCHEMBL368733

SCHEMBL368733

CN1CCC(C(CC(=O)c2ccc[n+]([O-])c2)c2ccccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNA1B Q00975 2/20 0.35
CACNB1 Q02641 2/20 0.35
CACNA1C Q13936 2/20 0.35
GHSR Q92847 1/20 0.35
MC4R P32245 1/20 0.34
CCR8 P51685 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL369675 0.89 GPR84 (0.43) GPR84MEN1KMT2AKDM4E
SCHEMBL371121 0.79 KMT2A (0.36) KMT2AKDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL1390209 0.74 SLC18A3 (0.43) KDM4E
SCHEMBL370511 0.71 APAF1 (0.38) MEN1KMT2AFFAR1
SCHEMBL369804 0.70 MGAM (0.47) GPR84MEN1KMT2A
SCHEMBL369165 0.68 KMT2A (0.40) GPR84MEN1KMT2AKDM4EFFAR1
SCHEMBL370833 0.68 KMT2A (0.40) GPR84MEN1KMT2AKDM4EFFAR1
SCHEMBL370541 0.68 CNR1 (0.36) GPR84MEN1KMT2AKDM4E
SCHEMBL368786 0.68 KMT2A (0.39) GPR84MEN1KMT2AKDM4EFFAR1
SCHEMBL370946 0.66 EPHX2 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPR84 51/4885MEN1 1315/4885KMT2A 3981/4885

“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.