SCHEMBL4906409

SCHEMBL4906409

CN1CC(O)c2cccc3c2C1Cc1ccccc1-3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
HTR1A P08908 9/20 0.58
DRD1 P21728 2/20 0.45
HTR2A P28223 3/20 0.44
HTR7 P34969 2/20 0.44
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
MDM2 Q00987 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL11160824 0.75 DRD2 (0.56) DRD2HTR1ADRD1HTR2ADRD3
SCHEMBL31029854 0.74 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL29723260 0.74 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL59765 0.74 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL31079473 0.74 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
SCHEMBL25173335 0.74 DRD2 (1.00) DRD2HTR1ADRD1HTR2AHTR7
Hydrochloric Acid SCHEMBL11162051 0.74 DRD2 (0.55) DRD2HTR1ADRD1HTR2ADRD3
Chloromethane SCHEMBL11396015 0.73 DRD2 (0.54) DRD2HTR1ADRD1HTR2ADRD3
Hydrochloric Acid SCHEMBL11707353 0.73 DRD2 (0.97) DRD2HTR1ADRD1HTR2AHTR7
Bromide SCHEMBL11710282 0.73 DRD2 (0.97) DRD2HTR1ADRD1HTR2AHTR7

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
US-20080096909-A1 APOMORPHINE INHIBITORS OF AMYLOID-BETA (ABETA) FIBRIL FORMATION AND THEIR USE IN AMYLOIDOSIS BASED DISEASE CYTOKINE PHARMASCIENCES, INC. (US) 2008-04-24 US disclosed
US-20030187011-A1 Apomorphine inhibitors of amyloid-beta (Abeta) fibril formation and their use in amyloidosis based disease CYTOKINE PHARMASCIENCES, INC. 2003-10-02 US disclosed
WO-2003053356-A2 APOMORPHINE INHIBITORS OF AMYLOID-β (Aβ) FIBRIL FORMATION AND THEIR USE IN AMYLOIDOSIS BASED DISEASE CYTOKINE PHARMASCIENCES, INC. (US) 2003-07-03 WO disclosed
US-4120964-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1978-10-17 US disclosed
US-4120964-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1978-10-17 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 (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-20080096909-A1 APOMORPHINE INHIBITORS OF AMYLOID-BETA (ABETA) FIBRIL FORMATION AND THEIR USE IN AMYLOIDOSIS BASED DISEASE APP, PNMT, APOB DRD2 168/4885HTR1A 44/4885DRD1 145/4885
US-20030187011-A1 Apomorphine inhibitors of amyloid-beta (Abeta) fibril formation and their use in amyloidosis based disease PNMT, APP, MAPT DRD2 269/4885HTR1A 41/4885DRD1 211/4885

“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.