SCHEMBL371121

SCHEMBL371121

CN1CCC(C(CC(=O)c2ccc(=O)[nH]c2)c2ccccc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
GRIN2B Q13224 1/20 0.36
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 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.34
BCHE P06276 1/20 0.34
F10 P00742 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL370946 0.88 EPHX2 (0.38) KMT2AGRIN2BALDH1A1MAPTCYP2D6
SCHEMBL368733 0.79 GPR84 (0.39) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1390209 0.77 SLC18A3 (0.43) GRIN2BKDM4EALDH1A1MAPTTSHR
SCHEMBL370511 0.74 APAF1 (0.38) KMT2AALDH1A1TSHR
SCHEMBL1390463 0.72 MGAM (0.46) KMT2A
SCHEMBL371201 0.69 MGAM (0.53) KMT2A
SCHEMBL371194 0.66 EPHX2 (0.37) KMT2AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL369675 0.66 GPR84 (0.43) KMT2AKDM4EALDH1A1POLBCYP2D6
SCHEMBL370019 0.66 FFAR2 (0.42) GRIN2BALDH1A1SMN1; SMN2
SCHEMBL370468 0.65 ALDH1A1 (0.38) KMT2AALDH1A1MAPTSMN1; SMN2

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 KMT2A 3981/4885TRPV6 1036/4885GRIN2B 653/4885

“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.