SCHEMBL13246731

SCHEMBL13246731

C=C[C@H](C)[C@H](N)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CYP2C19 P33261 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.36
DPP4 P27487 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PYCR1 P32322 1/20 0.33
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL13267831 1.00 HTR2A (0.38) HTR2ACYP2C19ALOX5MAOADPP4
SCHEMBL13056306 0.82 DPP4 (0.36) ALOX5MAOADPP4MEN1KMT2A
SCHEMBL13056307 0.82 DPP4 (0.36) ALOX5MAOADPP4MEN1KMT2A
SCHEMBL17300289 0.81 DPP4 (0.56) DPP4ALDH1A1
SCHEMBL8634102 0.81 DPP4 (0.56) DPP4ALDH1A1
SCHEMBL17300288 0.81 DPP4 (0.56) DPP4ALDH1A1
SCHEMBL2996389 0.77 CYP1A2 (0.44) CYP2C19MAOASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL13267800 0.77 CYP1A2 (0.44) CYP2C19MAOASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL2996386 0.77 CYP1A2 (0.44) CYP2C19MAOASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL3749883 0.77 CYP1A2 (0.44) CYP2C19MAOASMN1; SMN2CYP1A2ALDH1A1

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 HTR2A 1380/4885CYP2C19 281/4885ALOX5 1033/4885

“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.