SCHEMBL12869321

SCHEMBL12869321

CC(C)N(C)C(C)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.65
SIGMAR1 Q99720 7/20 0.63
SLC6A2 P23975 3/20 0.62
ADRA2B P18089 2/20 0.62
ADRA2C P18825 2/20 0.62
ADRA1A P35348 2/20 0.62
OPRK1 P41145 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
HTR2A P28223 1/20 0.62
KCNH2 Q12809 1/20 0.62
MAOA P21397 5/20 0.55
CYP1A2 P05177 2/20 0.55
ADRA2A P08913 1/20 0.55
SNCA P37840 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL13623693 1.00 MAOB (0.65) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
SCHEMBL19285766 0.91 MAOB (0.69) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL2110135 0.86 SLC6A4 (0.67) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL12203605 0.86 SLC6A4 (0.67) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL727641 0.86 SLC6A4 (0.67) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL28689942 0.84 SLC6A4 (0.64) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL30559567 0.84 SLC6A4 (0.64) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL11773332 0.84 SLC6A4 (0.64) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL5091391 0.84 SLC6A4 (0.64) MAOBSIGMAR1SLC6A2ADRA2BADRA2C
Dimetamfetamine SCHEMBL5091346 0.84 SLC6A4 (0.64) MAOBSIGMAR1SLC6A2ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A MAOB 323/4885SIGMAR1 929/4885SLC6A2 1397/4885

“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.