SCHEMBL2855692

SCHEMBL2855692

O=C1CCCc2c1ccn2CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
MAPT P10636 2/20 0.46
HTR1A P08908 2/20 0.44
SIRT6 Q8N6T7 1/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL2848976 0.98 MAPT (0.46) DRD2DRD4DRD3MAPTHTR1A
SCHEMBL2852888 0.94 MAPT (0.48) MAPTHTR1ASIRT6LMNAKMT2A
SCHEMBL2192247 0.85 ALDH1A1 (0.46) DRD2DRD4DRD3MAPTHTR1A
SCHEMBL2197706 0.85 KDM4E (0.48) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL2195337 0.85 SLC6A2 (0.43) DRD2DRD4DRD3HTR1A
SCHEMBL2194931 0.85 KDM4E (0.47) DRD2DRD4DRD3HTR1A
SCHEMBL3424068 0.84 KDM4E (0.49) DRD2DRD4DRD3HTR1A
SCHEMBL3258946 0.83 KDM4E (0.47) DRD2DRD4DRD3HTR1ALMNA
SCHEMBL2191495 0.83 ALDH1A1 (0.46) DRD2DRD4DRD3MAPTHTR1A
SCHEMBL2197948 0.83 KDM4E (0.50) DRD2DRD4DRD3HTR1A

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 DRD2 646/4885DRD4 681/4885DRD3 599/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C DRD2 464/4885DRD4 616/4885DRD3 577/4885

“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.