SCHEMBL13246771

SCHEMBL13246771

C=C[C@H](C)[C@@](N)(C(N)=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA7 P43166 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL4750593 0.83 MAPT (0.46) MAPTALDH1A1CA1CA2CA12
SCHEMBL838044 0.79 CYP2D6 (0.54) MAPTALDH1A1TDP1TSHRCYP3A4
SCHEMBL838052 0.79 CYP2D6 (0.54) MAPTALDH1A1TDP1TSHRCYP3A4
SCHEMBL4450963 0.70 MAPT (0.60) MAPTALDH1A1CA1CA2CA12
SCHEMBL2997588 0.70 MAPT (0.51) MAPTALDH1A1CA1CA2CA12
SCHEMBL2890249 0.69 CA1 (0.59) MAPTALDH1A1CA1CA2CA12
Urea SCHEMBL20838278 0.69 CA1 (0.70) MAPTALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL18284031 0.69 MAPT (0.58) MAPTALDH1A1CA1CA2CA12
Ethylene SCHEMBL8070484 0.67 CA1 (0.73) MAPTALDH1A1CA1CA2CA12
SCHEMBL28993944 0.67 CA1 (0.80) MAPTALDH1A1CA1CA2CA12

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 4101/4885ALDH1A1 509/4885CA1 192/4885

“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.