SCHEMBL7101670

SCHEMBL7101670

NC(=Nc1ccccc1N1CCCCC1)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
SIGMAR1 Q99720 4/20 0.50
SCN2A Q99250 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NOTUM Q6P988 2/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL7106349 0.82 MAPT (0.54) MAPTTDP1SIGMAR1SCN2ANPC1
SCHEMBL6774952 0.81 MAPT (0.55) MAPTTDP1SIGMAR1SCN2ANPC1
SCHEMBL6769990 0.81 MAPT (0.62) MAPTTDP1SIGMAR1SCN2ANPC1
SCHEMBL6768080 0.80 MAPT (0.52) MAPTTDP1SIGMAR1SCN2ANPSR1
SCHEMBL9059194 0.80 SIGMAR1 (0.61) MAPTSIGMAR1NPC1LMNAHTT
SCHEMBL6768946 0.78 SIGMAR1 (0.57) MAPTTDP1SIGMAR1SCN2ANPSR1
SCHEMBL6776139 0.78 MAPT (0.56) MAPTTDP1SIGMAR1SCN2ANPSR1
SCHEMBL7098716 0.77 MAPT (0.55) MAPTTDP1SIGMAR1SCN2ANPSR1
SCHEMBL7099591 0.77 ALDH1A1 (0.55) MAPTTDP1SIGMAR1SCN2ANPC1
SCHEMBL7105253 0.77 MAPT (0.52) MAPTTDP1SIGMAR1SCN2ANPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US claimed
EP-0925300-A4 1999-06-30 EP claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN MAPT 122/4885TDP1 297/4885SIGMAR1 2813/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN MAPT 122/4885TDP1 297/4885SIGMAR1 2813/4885

“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.