SCHEMBL2852974

SCHEMBL2852974

O=C1CCCc2c1ccn2CCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
MCHR1 Q99705 2/20 0.39
CHRM4 P08173 4/20 0.38
ADORA2A P29274 1/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL4561888 0.96 HRH3 (0.40) HRH3MCHR1CHRM4ADORA2AKCNH2
SCHEMBL2856627 0.94 HRH3 (0.40) HRH3CHRM4SLC6A4SLC6A3KCNH2
SCHEMBL2849035 0.94 HTR7 (0.41) HRH3CHRM4SLC6A4KCNH2HTR1A
SCHEMBL2196037 0.86 HTR7 (0.45) HRH3SLC6A4HTR1A
SCHEMBL2193588 0.86 DRD2 (0.51) HTR1AALDH1A1
SCHEMBL2194422 0.85 HTR1A (0.47) SLC6A4SLC6A3HTR1A
SCHEMBL2850938 0.84 DRD2 (0.44) HRH3KCNH2HTR1AALDH1A1
SCHEMBL4054287 0.84 HTR7 (0.38) HRH3SLC6A4SLC6A3HTR1A
SCHEMBL4057335 0.82 DRD3 (0.52) HTR1A
SCHEMBL2195771 0.82 ADRA1D (0.42) SLC6A4HTR1A

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 HRH3 807/4885MCHR1 3221/4885CHRM4 2930/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C HRH3 837/4885MCHR1 2829/4885CHRM4 1069/4885

“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.