SCHEMBL7099545

SCHEMBL7099545

N=C(Nc1cnc2ccccc2c1)N1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
KDR P35968 1/20 0.45
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HTR2C P28335 1/20 0.43
USP30 Q70CQ3 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL6775199 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TP53SIGMAR1
Hydrochloric Acid SCHEMBL6768585 0.80 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53SIGMAR1
SCHEMBL4895053 0.78 TP53 (0.64) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6768621 0.78 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HSD17B10TP53
Hydrochloric Acid SCHEMBL6775006 0.76 NPC1 (0.66) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL7106080 0.75 SIGMAR1 (0.54) RAB9ANPC1SMN1; SMN2TP53SIGMAR1
SCHEMBL846668 0.73 KDR (0.60) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6768941 0.73 SIGMAR1 (0.55) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7100142 0.73 SIGMAR1 (0.55) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL845788 0.73 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KDM4ETP53

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 disclosed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 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 RAB9A 1903/4885NPC1 246/4885SMN1; SMN2 104/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN RAB9A 1903/4885NPC1 246/4885SMN1; SMN2 104/4885

“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.