SCHEMBL2848142

SCHEMBL2848142

COc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR7 P34969 1/20 0.39
UGCG Q16739 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.37
MAP4K1 Q92918 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALK Q9UM73 2/20 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
SCHEMBL2852977 0.95 HTR7 (0.43) HTR2CHTR2AHTR2BHTR7DRD2
SCHEMBL2849266 0.95 HTR2A (0.42) HTR2CHTR2AHTR2BHTR7UGCG
SCHEMBL2855011 0.88 HTR7 (0.43) HTR2CHTR2AHTR2BHTR7SUV39H2
SCHEMBL2847054 0.87 HTR7 (0.41) HTR7DRD2
SCHEMBL2847169 0.86 SUV39H2 (0.47) HTR2CHTR2AHTR2BSUV39H2KDM4E
SCHEMBL2196652 0.86 LMNA (0.41) HTR7
SCHEMBL2849233 0.83 HTR7 (0.42) HTR2CHTR2AHTR2BHTR7DRD2
SCHEMBL2850608 0.83 HTR7 (0.42) HTR2CHTR2AHTR2BHTR7
SCHEMBL3426445 0.83 HTR7 (0.44) HTR2AHTR7DRD2
SCHEMBL2197900 0.81 HTR7 (0.46) HTR2AHTR7DRD2

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 HTR2C 50/4885HTR2A 94/4885HTR2B 236/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C HTR2C 28/4885HTR2A 78/4885HTR2B 108/4885

“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.