SCHEMBL2847043

SCHEMBL2847043

COc1ccc(N2CCN(CCCCn3ccc4c3CCCC4=O)CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 8/20 0.43
KCNH2 Q12809 2/20 0.42
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR7 P34969 1/20 0.40
HTR1A P08908 1/20 0.40

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 0.98 SUV39H2 (0.43) SUV39H2KCNH2HTR2CHTR2BKDM4E
SCHEMBL2847169 0.94 SUV39H2 (0.47) SUV39H2HTR2CHTR2BKDM4EMEN1
SCHEMBL2849233 0.91 HTR7 (0.42) KCNH2HTR2CHTR2BMEN1KMT2A
SCHEMBL2850608 0.89 HTR7 (0.42) HTR2CHTR2BHTR2ASIGMAR1HTR7
SCHEMBL1254885 0.88 HTR7 (0.48) KCNH2HTR2CHTR2ASIGMAR1HTR7
SCHEMBL2852977 0.86 HTR7 (0.43) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL2194951 0.86 DRD2 (0.46) KCNH2HTR2CHTR2ASIGMAR1HTR7
SCHEMBL2195717 0.85 HTR7 (0.46) KCNH2HTR2CKDM4EHTR2ASIGMAR1
SCHEMBL2855011 0.85 HTR7 (0.43) SUV39H2HTR2CHTR2BALDH1A1HTR2A
SCHEMBL2196552 0.85 HTR7 (0.45) KCNH2HTR2CHTR2ASIGMAR1HTR7

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 3223/4885KCNH2 2665/4885HTR2C 50/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C SUV39H2 2970/4885KCNH2 1439/4885HTR2C 28/4885

“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.