SCHEMBL7099547

SCHEMBL7099547

NC(=Nc1cnc2ccccc2c1)N1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SIGMAR1 Q99720 2/20 0.54
SCN2A Q99250 1/20 0.42
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
NOTUM Q6P988 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
SCHEMBL6775201 0.81 SIGMAR1 (0.62) MAPTTDP1SIGMAR1SCN2ACD74
Hydrochloric Acid SCHEMBL6768586 0.80 SIGMAR1 (0.61) MAPTTDP1SIGMAR1SCN2ACD74
SCHEMBL6768624 0.78 SIGMAR1 (0.67) MAPTTDP1SIGMAR1SCN2ARAB9A
SCHEMBL7106082 0.77 SIGMAR1 (0.60) MAPTTDP1SIGMAR1SCN2ARAB9A
SCHEMBL7100143 0.73 SIGMAR1 (0.58) MAPTTDP1SIGMAR1SCN2ARAB9A
SCHEMBL7681718 0.73 SCN2A (0.64) MAPTTDP1SIGMAR1SCN2ARAB9A
SCHEMBL4629317 0.73 HTR3E (0.55) NPSR1ALDH1A1HTR3AHPGD
SCHEMBL7100164 0.73 SIGMAR1 (0.61) MAPTTDP1SIGMAR1SCN2ARAB9A
SCHEMBL7099375 0.73 SIGMAR1 (0.65) MAPTTDP1SIGMAR1SCN2ARAB9A
SCHEMBL6775648 0.73 SIGMAR1 (0.72) MAPTTDP1SIGMAR1SCN2ARAB9A

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-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
EP-0925300-A4 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 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.