SCHEMBL7100142

SCHEMBL7100142

N=C(Nc1ccc(Cl)cc1)N1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
TP53 P04637 3/20 0.54
PKM P14618 3/20 0.54
MAPT P10636 4/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL6768621 0.88 NPC1 (0.68) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7106080 0.87 SIGMAR1 (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6775006 0.87 NPC1 (0.66) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6765702 0.85 SIGMAR1 (0.51) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7104842 0.82 RAB9A (0.74) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6775299 0.81 SIGMAR1 (0.50) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7103364 0.81 TAS1R3 (0.53) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6775199 0.81 RAB9A (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6774950 0.80 SIGMAR1 (0.55) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6768585 0.80 RAB9A (0.53) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1

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 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
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 2813/4885NPC1 246/4885RAB9A 1903/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885NPC1 246/4885RAB9A 1903/4885

“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.