SCHEMBL2129756

SCHEMBL2129756

COc1nc(C(F)(F)F)ccc1CCN

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.49
HTR2A P28223 6/20 0.43
HTR2C P28335 5/20 0.43
TRPV1 Q8NER1 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
HTR2B P41595 4/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1B P28222 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A4 P31645 1/20 0.36
NOS2 P35228 1/20 0.36
ADRA1A P35348 1/20 0.36
PDE4B Q07343 1/20 0.35

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
SCHEMBL2528780 0.87 MBOAT4 (0.48) MBOAT4TRPV1PDCD1LG2CD274SLC6A4
SCHEMBL5049915 0.85 HTR2A (0.41) MBOAT4HTR2AHTR2CTRPV1TAAR1
SCHEMBL13136015 0.81 MBOAT4 (0.46) MBOAT4TRPV1PDE4B
SCHEMBL13757105 0.80 MBOAT4 (0.45) MBOAT4TRPV1PDCD1LG2CD274PDE4B
SCHEMBL17986246 0.80 MBOAT4 (0.45) MBOAT4TRPV1PDE4B
SCHEMBL23287266 0.80 MBOAT4 (0.45) MBOAT4TRPV1PDCD1LG2CD274PDE4B
SCHEMBL4472362 0.80 MBOAT4 (0.45) MBOAT4TRPV1PDCD1LG2CD274PDE4B
SCHEMBL12993561 0.77 MBOAT4 (0.44) MBOAT4TRPV1
SCHEMBL27181500 0.77 MBOAT4 (0.46) MBOAT4HTR2ATRPV1PDCD1LG2CD274
SCHEMBL12093699 0.75 MBOAT4 (0.38) MBOAT4TRPV1PDE4B

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
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 MBOAT4 4238/4885HTR2A 246/4885HTR2C 338/4885

“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.