Sugi Predict

Sugi Predict / Compounds / SCHEMBL2989933

SCHEMBL2989933

SCHEMBL2989933

C=CCC(N)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.51
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SLC1A1 P43005 1/20 0.45
▸ AKT1 P31749 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ PRKCD Q05655 1/20 0.42

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
SCHEMBL5152036 0.83 TACR1 (0.49) TACR1CA1CA2CA7CA9
SCHEMBL5152042 0.83 TACR1 (0.49) TACR1CA1CA2CA7CA9
SCHEMBL18394417 0.83 TACR1 (0.63) TACR1CA1CA2CA7CA9
SCHEMBL7965700 0.80 TACR1 (0.59) TACR1CA1CA2CA7CA9
SCHEMBL2781643 0.80 TACR1 (0.59) TACR1CA1CA2CA7CA9
SCHEMBL7967707 0.80 TACR1 (0.59) TACR1CA1CA2CA7CA9
SCHEMBL25035284 0.79 CA1 (0.49) TACR1CA1CA2CA7CA9
SCHEMBL1933560 0.79 CA1 (0.62) CA1CA2CA7CA9TDP1
SCHEMBL20280189 0.79 CA1 (0.49) TACR1CA1CA2CA7CA9
SCHEMBL7326064 0.79 CA1 (0.49) TACR1CA1CA2CA7CA9

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 16 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-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-8350047-B2 Methods of preparing secondary carbinamine compounds with boronic acids THADANI AVINASH N (CA) 2013-01-08 — — US disclosed
US-8350047-B2 Methods of preparing secondary carbinamine compounds with boronic acids THADANI AVINASH N (CA) 2013-01-08 — — US disclosed
US-8350047-B2 Methods of preparing secondary carbinamine compounds with boronic acids THADANI AVINASH N (CA) 2013-01-08 — — US disclosed
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS PANASONIC CORPORATION (JP) 2010-11-25 — — US disclosed
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS PANASONIC CORPORATION (JP) 2010-11-25 — — US disclosed
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS PANASONIC CORPORATION (JP) 2010-11-25 — — 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
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
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
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 — — WO disclosed
WO-2008119161-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 — — WO disclosed
WO-2008119161-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 — — WO disclosed
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 — — WO 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 (2 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 TACR1 1284/4885CA1 192/4885CA2 146/4885
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS C9, BCAT2, SLC1A5 TACR1 487/4885CA1 122/4885CA2 119/4885

“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.