SCHEMBL2850938

SCHEMBL2850938

CCOc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2851081 0.94 DRD2 (0.47) DRD2HRH3KCNH2MAPTKDM4E
SCHEMBL2853060 0.94 DRD2 (0.49) DRD2HRH3KCNH2MAPTKDM4E
SCHEMBL4055239 0.92 MAPT (0.48) DRD2MAPTKDM4ETP53HSD17B10
SCHEMBL2193588 0.89 DRD2 (0.51) DRD2KDM4EALDH1A1LMNAHPGD
SCHEMBL2193252 0.85 ALDH1A1 (0.45) DRD2MAPTKDM4EALDH1A1LMNA
SCHEMBL4057335 0.85 DRD3 (0.52) DRD2KMT2AHSD17B10MEN1HTR1A
SCHEMBL2852974 0.84 HRH3 (0.42) HRH3KCNH2ALDH1A1HTR1A
SCHEMBL2195771 0.83 ADRA1D (0.42) DRD2KDM4EHSD17B10HTR1A
SCHEMBL2194422 0.83 HTR1A (0.47) DRD2KDM4ELMNAMAPK1HTR1A
SCHEMBL2196865 0.83 HTR1A (0.47) DRD2HRH3KDM4EHSD17B10HTR1A

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.