SCHEMBL2609296

SCHEMBL2609296

CC(C)c1ncc2cc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.48
CYP2A6 P11509 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
NR4A2 P43354 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE10A Q9Y233 1/20 0.36
S1PR3 Q99500 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE5A O76074 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
SCHEMBL15221567 0.87 NR4A2 (0.43) HTR3ACYP2A6HRH4NR4A2FABP4
SCHEMBL888951 0.80 NPC1 (0.41) AAK1ALDH1A1PDE10ALMNATP53
SCHEMBL12810151 0.80 CYP1A2 (0.50) CYP2A6AAK1TDP1ALDH1A1HTT
SCHEMBL888873 0.78 AAK1 (0.42) AAK1LCK
SCHEMBL20047540 0.76 SCN10A (0.38) AAK1TDP1ALDH1A1PDE10ALCK
SCHEMBL2609300 0.76 HTR3A (0.46) HTR3ACYP2A6HRH4NR4A2FABP3
SCHEMBL15888390 0.76 HTR3A (0.51) HTR3AHRH4NR4A2ALDH1A1PDE10A
SCHEMBL2595849 0.75 HTR3A (0.50) HTR3ACYP2A6HRH4NR4A2ALDH1A1
SCHEMBL30354091 0.75 HTR3A (0.50) HTR3ACYP2A6HRH4NR4A2ALDH1A1
SCHEMBL22672456 0.73 TDP1 (0.46) TDP1ALDH1A1

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-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
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 HTR3A 177/4885CYP2A6 225/4885HRH4 7/4885

“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.