SCHEMBL830678

SCHEMBL830678

C=CCC(C)(N)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.37
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
MMP9 P14780 2/20 0.31
CYP2A6 P11509 1/20 0.31
OGG1 O15527 1/20 0.31

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
SCHEMBL30434781 0.82 PYCR1 (0.36) PYCR1HTTALDH1A1TSHRCA1
SCHEMBL13246739 0.81 TACR1 (0.41) HTTATMALDH1A1TSHR
SCHEMBL30434709 0.79 HTT (0.46) PYCR1HTTATMALDH1A1TSHR
SCHEMBL15242493 0.77 MAPT (0.46) PYCR1HTTATMALDH1A1TSHR
SCHEMBL838589 0.77 ATM (0.33) HTTATMALDH1A1TSHRMAPT
SCHEMBL830941 0.77 KIF11 (0.46) HTTATMALDH1A1TSHRMAPT
SCHEMBL30462529 0.75 ALOX15 (0.40) ALDH1A1TSHRCA1CA2CA5A
SCHEMBL10160572 0.75 CA1 (0.36) ALDH1A1MAPTCA1CA2CA5A
SCHEMBL830832 0.74 CYP2C19 (0.42) HTTALDH1A1MAPTCA1CA2
Hydrochloric Acid SCHEMBL25330775 0.74 ALOX15 (0.39) ALDH1A1TSHRCA1CA2CA5A

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 PYCR1 889/4885HTT 1319/4885ATM 2848/4885

“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.