SCHEMBL3292010

SCHEMBL3292010

CN(C(=O)O)C1Cc2cc(Cl)c3ccccc3c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP1 P29466 2/20 0.32
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
CASP6 P55212 2/20 0.32
CASP8 Q14790 2/20 0.32
SIGMAR1 Q99720 4/20 0.32
NFKB1 P19838 2/20 0.31

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
SCHEMBL15758987 0.84 AKR1C2 (0.37) AKR1B1HPGDTSHRNPC1RAB9A
SCHEMBL4220850 0.80 PTGS1 (0.41) KDM4EALDH1A1
SCHEMBL17961421 0.79 KDM4E (0.35) AKR1B1KDM4EMEN1MAPTKMT2A
SCHEMBL15759012 0.79 TDP1 (0.39) AKR1B1HPGDALDH1A1TSHRSIGMAR1
SCHEMBL3290325 0.77
SCHEMBL4596667 0.76 AQP1 (0.43) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL15758853 0.76 AKR1B1 (0.40) AKR1B1ALDH1A1
SCHEMBL4595391 0.76 HTR1A (0.41) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL4236359 0.75 GPBAR1 (0.41) ALDH1A1
SCHEMBL15757944 0.75 CYP11B2 (0.46) KDM4ECYP1A2

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-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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 (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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B AKR1B1 662/4885KDM4E 2343/4885HPGD 2379/4885

“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.