SCHEMBL13246769

SCHEMBL13246769

C=C[C@@H](C)[C@@](N)(C(N)=O)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALOX5 P09917 4/20 0.38
CYP2C19 P33261 3/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP1A2 P05177 1/20 0.32
RECQL P46063 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN7 P35236 1/20 0.30

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
SCHEMBL14042585 1.00 MAPT (0.41) MAPTALOX5CYP2C19KMT2AMEN1
SCHEMBL838044 0.75 CYP2D6 (0.54) MAPTALOX5CYP2C19KMT2ATDP1
SCHEMBL838052 0.75 CYP2D6 (0.54) MAPTALOX5CYP2C19KMT2ATDP1
SCHEMBL4886581 0.75 CYP2D6 (0.54) MAPTALOX5CYP2C19KMT2ATDP1
SCHEMBL20425072 0.69 KMT2A (0.48) MAPTALOX5CYP2C19KMT2AMEN1
SCHEMBL13246771 0.66 MAPT (0.47) MAPTCYP2C19TDP1ALDH1A1CYP3A4
SCHEMBL14042969 0.65 GLA (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13246766 0.65 GLA (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2995675 0.65 GLA (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL637383 0.64 MAPT (0.42) MAPTALOX5CYP2C19KMT2AMEN1

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-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 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-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA HNMT, AADAT, DAO MAPT 4101/4885ALOX5 1033/4885CYP2C19 281/4885

“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.