SCHEMBL2849035

SCHEMBL2849035

O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.41
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 1/20 0.40
DRD3 P35462 4/20 0.40
CHRM4 P08173 2/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL2856627 0.98 HRH3 (0.40) HTR7HRH3KCNH2DRD3CHRM4
SCHEMBL4561888 0.96 HRH3 (0.40) HTR7HRH3KCNH2DRD3CHRM4
SCHEMBL2852974 0.94 HRH3 (0.42) HRH3KCNH2CHRM4HTR1ASLC6A4
SCHEMBL2194852 0.87 DRD3 (0.53) HTR7DRD3HTR1ADRD2HTR2A
SCHEMBL2191733 0.87 HTR7 (0.50) HTR7DRD3HTR1ASLC6A2SLC6A4
SCHEMBL4054287 0.86 HTR7 (0.38) HTR7HRH3DRD3HTR1ASLC6A2
SCHEMBL1256145 0.85 HTR1A (0.49) DRD3HTR1ADRD2HTR2AHRH1
SCHEMBL2853060 0.85 DRD2 (0.49) HRH3KCNH2DRD3HTR1ADRD2
SCHEMBL2195868 0.85 HTR7 (0.47) HTR7DRD3HTR1ASLC6A2SLC6A4
SCHEMBL2194249 0.85 DRD3 (0.53) HTR7DRD3HTR1ADRD2HTR2A

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 HTR7 114/4885HRH3 807/4885KCNH2 2665/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C HTR7 59/4885HRH3 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.