SCHEMBL6252014

SCHEMBL6252014

CCCCCN(CCCCC)C1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.50
ADRA2A P08913 5/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
DRD2 P14416 1/20 0.46
DRD3 P35462 2/20 0.44
KCNH2 Q12809 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
SCHEMBL12004879 0.85 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL6255173 0.81 MAPT (0.49) DRD3
SCHEMBL6250913 0.80 CTSV (0.43) DRD3
SCHEMBL1640125 0.78 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL30561524 0.78 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL14878929 0.78 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL6256301 0.76 GRIN2B (0.52) PNMTADRA2AADRA2BADRA2CDRD3
SCHEMBL6250921 0.76 DRD3 (0.50) DRD2DRD3
SCHEMBL7433347 0.76 PNMT (0.47) PNMTADRA2AADRA2BADRA2C
SCHEMBL12355694 0.75 PNMT (0.57) PNMTADRA2AADRA2BADRA2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949575-B2 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using aminoindane derivatives PFIZER INC. (US) 2005-09-27 US disclosed
EP-1284958-B1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING AMINOIDANE DERIVATIVES WARNER LAMBERT CO (US) 2005-09-14 EP disclosed
US-20030220382-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using aminoindane derivatives BARTA NANCY SUE (US) 2003-11-27 US disclosed
EP-1284958-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING AMINOIDANE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-02-26 EP disclosed
WO-2001083425-A1 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS USING AMINOINDANE DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-08 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 (1 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-20030220382-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using aminoindane derivatives APP, APBA1, PSEN1 PNMT 127/4885ADRA2A 314/4885ADRA2B 251/4885

“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.