SCHEMBL830190

SCHEMBL830190

C=CCC(C)(N)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HTR2A P28223 5/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
HTR1D P28221 3/20 0.40
HTR6 P50406 3/20 0.40
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
SLC6A2 P23975 2/20 0.40
HTR1E P28566 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL7192679 0.77 ATM (0.50) ALDH1A1HTR2AHTR2CHTR2BHTR1D
SCHEMBL17232880 0.77 ATM (0.50) ALDH1A1HTR2AHTR2CHTR2BHTR1D
SCHEMBL14694211 0.74 ATM (0.50) ALDH1A1HTR2AHTR2CHTR2BHTR1D
SCHEMBL11797189 0.73 ATM (0.50) ALDH1A1HTTHTR2AHTR2CHTR2B
SCHEMBL7316769 0.73 IMPDH2 (0.47) ALDH1A1HTTHTR2AHTR2CHTR2B
SCHEMBL4660218 0.73 IMPDH2 (0.47) ALDH1A1HTTHTR2AHTR2CHTR2B
SCHEMBL799601 0.73 ATM (0.54) ALDH1A1HTR2AHTR2CHTR2BHTR1D
SCHEMBL13335152 0.73 ATM (0.54) ALDH1A1HTTHTR2AHTR2CHTR2B
SCHEMBL1685393 0.73 ATM (0.54) ALDH1A1ATMMEN1KMT2AMAPT
SCHEMBL29885789 0.73 ATM (0.54) ALDH1A1HTTHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 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-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS INMT, CROCC, GNMT ALDH1A1 1599/4885LMNA 303/4885HTT 1319/4885

“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.