SCHEMBL6768618

SCHEMBL6768618

NC(=Nc1cccc2ccccc12)N1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.58
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOTUM Q6P988 1/20 0.46
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 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
SCHEMBL6768946 0.92 SIGMAR1 (0.57) SIGMAR1MAPTTDP1NOTUMALDH1A1
SCHEMBL7099820 0.86 SIGMAR1 (0.51) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6768595 0.85 SIGMAR1 (0.50) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL6769257 0.83 SIGMAR1 (0.50) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM
SCHEMBL7100765 0.82 KMT2A (0.49) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM
SCHEMBL6775636 0.82 MAPT (0.48) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM
SCHEMBL7104957 0.82 SIGMAR1 (0.50) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM
SCHEMBL7098241 0.82 ATM (0.51) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM
SCHEMBL6768665 0.81 MAPT (0.50) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM
SCHEMBL6768751 0.81 ATM (0.57) SIGMAR1MAPTTDP1SMN1; SMN2NOTUM

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 12 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
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
US-6770668-B2 INDOLINYL, 1,2,3,4-TETRAHYDROQUINOLINYL, 1,2,3,4-TETRAHYDRO ISOQUINOLINYL, BENZ(CD)INDOLINYL AND 5,6-DIHYDROPHEN ANTHRIDINYL COMPOUNDS; TREATING NEURODEGENERATIVE DISORDERS WYETH 2004-08-03 US disclosed
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US disclosed
US-6514990-B2 Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example SCION PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US disclosed
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 disclosed
US-6025355-A SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-02-15 US disclosed
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 SIGMAR1 2813/4885MAPT 122/4885TDP1 297/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885MAPT 122/4885TDP1 297/4885

“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.