SCHEMBL2849233

SCHEMBL2849233

COc1ccc(N2CCN(CCCCn3ccc4c3CCCC4=O)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
HTR1A P08908 6/20 0.41
KCNH2 Q12809 2/20 0.41
DRD3 P35462 4/20 0.40
HTR2C P28335 3/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2850608 0.98 HTR7 (0.42) HTR7HTR1ADRD3HTR2CHTR2A
SCHEMBL2855011 0.94 HTR7 (0.43) HTR7HTR2CDRD2HTR2AHTR2B
SCHEMBL2847043 0.91 SUV39H2 (0.43) HTR7HTR1AKCNH2HTR2CHTR2A
SCHEMBL2852537 0.89 SUV39H2 (0.43) HTR7HTR1AKCNH2HTR2CHTR2A
SCHEMBL2852977 0.89 HTR7 (0.43) HTR7HTR1ADRD3HTR2CDRD2
SCHEMBL2849266 0.87 HTR2A (0.42) HTR7HTR1ADRD3HTR2CDRD2
SCHEMBL2194852 0.87 DRD3 (0.53) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL2847169 0.85 SUV39H2 (0.47) HTR1AHTR2CDRD2HTR2AHTR2B
SCHEMBL2194974 0.85 DRD4 (0.44) HTR7KCNH2DRD3DRD2DRD4
SCHEMBL2194249 0.85 DRD3 (0.53) HTR7HTR1ADRD3DRD2HTR2A

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 4 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
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 114/4885HTR1A 66/4885KCNH2 2665/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C HTR7 59/4885HTR1A 86/4885KCNH2 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.