SCHEMBL2851081

SCHEMBL2851081

CCOc1ccc(N2CCN(CCCn3ccc4c3CCCC4=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
HRH3 Q9Y5N1 3/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 2/20 0.44
DRD3 P35462 5/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2853060 0.98 DRD2 (0.49) DRD2HRH3KCNH2MAPTTP53
SCHEMBL2850938 0.94 DRD2 (0.44) DRD2HRH3KCNH2MAPTTP53
SCHEMBL4055239 0.94 MAPT (0.48) DRD2MAPTTP53DRD3KDM4E
SCHEMBL2194249 0.90 DRD3 (0.53) DRD2DRD3HTR1AHTR2A
SCHEMBL4057335 0.88 DRD3 (0.52) DRD2DRD3HTR1AHTR2A
SCHEMBL2194852 0.88 DRD3 (0.53) DRD2DRD3HTR1AHTR2A
SCHEMBL2192247 0.86 ALDH1A1 (0.46) DRD2MAPTDRD3ALDH1A1KDM4E
SCHEMBL2856627 0.85 HRH3 (0.40) DRD2HRH3KCNH2MAPTDRD3
SCHEMBL2194931 0.84 KDM4E (0.47) DRD2HRH3DRD3KDM4EGAA
SCHEMBL2197706 0.84 KDM4E (0.48) DRD2DRD3KDM4EMAPK1HTR1A

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-8598180-B2 Tetrahydroindolone derivatives for treatment of neurological conditions ABRAXIS BIOSCIENCE, INC. (US) 2013-12-03 US disclosed
EP-1715921-B1 Tetrahydroindolone derivatives for treatment of neurological conditions ABRAXIS BIOSCIENCE INC (US) 2013-04-24 EP disclosed
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS ABRAXIS BIOSCIENCE, INC. 2010-12-02 US disclosed
US-7795266-B2 Tetrahydroindolone derivatives for treament of neurological conditions ABRAXIS BIOSCIENCE, INC. 2010-09-14 US disclosed
US-20070208030-A1 Tetrahydroindolone Derivatives for Treament of Neurological Conditions ABRAXIS BIOSCIENCE, INC. (US) 2007-09-06 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-20070208030-A1 Tetrahydroindolone Derivatives for Treament of Neurological Conditions TPH2, TPH1, GRIK5 DRD2 646/4885HRH3 807/4885KCNH2 2665/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C DRD2 464/4885HRH3 837/4885KCNH2 1439/4885

“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.