SCHEMBL12877906

SCHEMBL12877906

Cc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.80
ALDH1A1 P00352 2/20 0.80
MAPT P10636 2/20 0.80
RGS12 O14924 1/20 0.80
CYP1A2 P05177 1/20 0.80
PKM P14618 1/20 0.80
NFKB1 P19838 1/20 0.80
MAPK1 P28482 1/20 0.80
THPO P40225 1/20 0.80
MTOR P42345 1/20 0.80
GNAI1 P63096 1/20 0.80
HIF1A Q16665 1/20 0.80
HSD17B10 Q99714 1/20 0.80
KDM4E B2RXH2 1/20 0.78
GMNN O75496 1/20 0.78
LMNA P02545 1/20 0.78
G6PD P11413 1/20 0.78
HPGD P15428 1/20 0.78
RECQL P46063 1/20 0.78
PMP22 Q01453 1/20 0.78

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
SCHEMBL12877903 0.90 DRD2 (0.72) DRD2ALDH1A1MAPTRGS12CYP1A2
SCHEMBL29602749 0.89 DRD2 (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
SCHEMBL107293 0.89 DRD2 (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
SCHEMBL140170 0.89 DRD2 (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
SCHEMBL8344207 0.89 DRD2 (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
Bromide SCHEMBL4923286 0.88 MAPT (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
Bromide SCHEMBL4923294 0.88 MAPT (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
Bromide SCHEMBL31027963 0.88 MAPT (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
SCHEMBL12878037 0.86 DRD1 (1.00) DRD2ALDH1A1MAPTRGS12CYP1A2
SCHEMBL12877888 0.85 DRD2 (0.75) DRD2ALDH1A1MAPTRGS12CYP1A2

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-8431591-B2 R(−)-2-methoxy-11-hydroxyaporphine and derivatives thereof THE MCLEAN HOSPITAL CORPORATION (US) 2013-04-30 US disclosed
US-8431591-B2 R(−)-2-methoxy-11-hydroxyaporphine and derivatives thereof THE MCLEAN HOSPITAL CORPORATION (US) 2013-04-30 US disclosed
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-02-10 US disclosed
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-02-10 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-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF SNCA, HTR3A, PARK7 DRD2 18/4885ALDH1A1 972/4885MAPT 803/4885

“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.