SCHEMBL1472784

SCHEMBL1472784

CC(c1ccco1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 7/20 0.45
ATM Q13315 2/20 0.45
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNA5 P22460 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL30475628 0.83 KDM4E (0.42) TSHRNPSR1ALDH1A1MAPTKDM4E
SCHEMBL11521089 0.80 ALOX5 (0.38) MAPK1TSHRNPSR1ALDH1A1ATM
SCHEMBL1760870 0.75 ATM (0.52) MAPK1TSHRNPSR1ALDH1A1ATM
SCHEMBL2960945 0.74 ALDH1A1 (0.54) MAPK1TSHRNPSR1ALDH1A1ATM
SCHEMBL12437116 0.74 ATM (0.51) MAPK1TSHRNPSR1ALDH1A1ATM
SCHEMBL2485451 0.73 CYP2D6 (0.73) TSHRALDH1A1CYP3A4CYP2C19KCNA5
SCHEMBL4631202 0.73 CYP2D6 (0.73) TSHRALDH1A1CYP3A4CYP2C19KCNA5
Hydrochloric Acid SCHEMBL28177303 0.72 CYP2D6 (0.70) TSHRALDH1A1CYP3A4CYP2C19KCNA5
SCHEMBL28365363 0.70 ALOX5 (0.43) MAPK1TSHRNPSR1ALDH1A1ATM
SCHEMBL28365365 0.70 ALOX5 (0.43) MAPK1TSHRNPSR1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK MAPK1 1927/4885TSHR 1185/4885NPSR1 321/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK MAPK1 1819/4885TSHR 1111/4885NPSR1 269/4885

“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.