SCHEMBL7103364

SCHEMBL7103364

N=C(Nc1ccc(Cl)cc1Cl)N1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
TAS1R2 Q8TE23 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
SPR P35270 1/20 0.48
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6775299 0.90 SIGMAR1 (0.50) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
SCHEMBL6774950 0.87 SIGMAR1 (0.55) TAS1R3TAS1R1TAS1R2SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6769759 0.85 SIGMAR1 (0.54) TAS1R3TAS1R1TAS1R2SMN1; SMN2NPC1
SCHEMBL7106340 0.83 SIGMAR1 (0.51) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
SCHEMBL7100142 0.81 SIGMAR1 (0.55) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
SCHEMBL6776136 0.81 SIGMAR1 (0.51) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
SCHEMBL7106080 0.80 SIGMAR1 (0.54) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
Hydrochloric Acid SCHEMBL6769574 0.80 SIGMAR1 (0.50) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
SCHEMBL6765702 0.78 SIGMAR1 (0.51) SMN1; SMN2NPC1RAB9AMAPTSIGMAR1
SCHEMBL7104918 0.77 ALDH1A1 (0.53) TAS1R3TAS1R1TAS1R2SMN1; SMN2NPC1

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 TAS1R3 3854/4885TAS1R1 4499/4885TAS1R2 4360/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN TAS1R3 3854/4885TAS1R1 4499/4885TAS1R2 4360/4885

“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.