SCHEMBL2852888

SCHEMBL2852888

O=C1CCCc2c1ccn2CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
SIRT6 Q8N6T7 1/20 0.46
HTR1A P08908 2/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
HTR7 P34969 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2855692 0.94 DRD2 (0.47) MAPTSIRT6HTR1ALMNAKMT2A
SCHEMBL2848976 0.94 MAPT (0.46) MAPTSIRT6HTR1ALMNAKMT2A
SCHEMBL2193252 0.84 ALDH1A1 (0.45) MAPTHTR1ALMNAKMT2APOLB
SCHEMBL2194422 0.84 HTR1A (0.47) HTR1ALMNA
SCHEMBL2196865 0.84 HTR1A (0.47) HTR1AHTR7
SCHEMBL2195771 0.84 ADRA1D (0.42) HTR1AHTR7
SCHEMBL2196037 0.81 HTR7 (0.45) HTR1AHTR7
SCHEMBL2193588 0.81 DRD2 (0.51) HTR1ALMNAKMT2AHTR7MEN1
SCHEMBL3258946 0.80 KDM4E (0.47) HTR1ALMNA
SCHEMBL4057154 0.80 KDM4E (0.47) HTR1AHTR7

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 MAPT 23/4885SIRT6 1565/4885HTR1A 66/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C MAPT 80/4885SIRT6 1857/4885HTR1A 86/4885

“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.