SCHEMBL3751138

SCHEMBL3751138

C=C[C@@H](C)[C@H](N)c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.56
FFAR1 O14842 2/20 0.56
HTR2A P28223 4/20 0.55
HTR2C P28335 3/20 0.55
HTR2B P41595 3/20 0.55
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1E P28566 2/20 0.47
HTR6 P50406 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRB1 P08588 1/20 0.47
HTR1B P28222 1/20 0.47
HTR7 P34969 1/20 0.47
SRC P12931 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 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
SCHEMBL13267637 1.00 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL14041262 1.00 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29611508 0.81 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL9060404 0.81 GPR84 (0.51) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL12894952 0.79 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1239890 0.79 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL29356418 0.79 GPR84 (0.67) GPR84FFAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29989075 0.78 GPR84 (0.65) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6157434 0.78 GPR84 (0.55) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6888701 0.75 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B

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 7 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-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-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 (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 GPR84 1780/4885FFAR1 2507/4885HTR2A 1380/4885
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS C9, BCAT2, SLC1A5 GPR84 3387/4885FFAR1 2443/4885HTR2A 2991/4885

“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.