SCHEMBL2847169

SCHEMBL2847169

COc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 8/20 0.47
HTR2C P28335 5/20 0.42
HTR2B P41595 3/20 0.42
HTR2A P28223 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL2852537 0.94 SUV39H2 (0.43) SUV39H2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL2847043 0.94 SUV39H2 (0.43) SUV39H2HTR2CHTR2BHTR2AALDH1A1
SCHEMBL2855011 0.91 HTR7 (0.43) SUV39H2HTR2CHTR2BHTR2ADRD2
SCHEMBL1253364 0.88 HTR1A (0.50) HTR2ADRD2DRD4HTR1A
SCHEMBL2848142 0.86 HTR2C (0.43) SUV39H2HTR2CHTR2BHTR2ADRD2
SCHEMBL2849233 0.85 HTR7 (0.42) HTR2CHTR2BHTR2ADRD2DRD4
SCHEMBL2850608 0.85 HTR7 (0.42) HTR2CHTR2BHTR2AHTR1A
SCHEMBL2196523 0.85 DRD2 (0.49) HTR2CHTR2ADRD2DRD4MAPT
SCHEMBL2193588 0.83 DRD2 (0.51) DRD2DRD4L3MBTL1ALDH1A1HSD17B10
SCHEMBL2192403 0.82 ADRA1B (0.49) DRD2DRD4MAPTTSHRHTR1A

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 SUV39H2 3223/4885HTR2C 50/4885HTR2B 236/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C SUV39H2 2970/4885HTR2C 28/4885HTR2B 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.