SCHEMBL8102228

SCHEMBL8102228

Cc1cc(OC2CCN(Cc3ccccc3C(=O)O)C3CCCCC23)c2cccc(F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.36
FABP4 P15090 2/20 0.35
KDM4E B2RXH2 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
RAB9A P51151 1/20 0.34
DHODH Q02127 1/20 0.34
CFB P00751 1/20 0.34
PIK3C2B O00750 1/20 0.33
HTT P42858 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CD38 P28907 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8100326 0.87 HTR1A (0.35) KDM4EHTT
SCHEMBL8091662 0.81 HRH1 (0.47) KMT2ADHODHALDH1A1
SCHEMBL13945353 0.73 S1PR5 (0.43) KDM4EALDH1A1CD38TSHR
SCHEMBL8098182 0.72 DPP4 (0.45)
SCHEMBL4243998 0.71 JAK2 (0.37) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL13945410 0.71 MEN1 (0.39) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL13945349 0.70 TTR (0.39)
SCHEMBL8095680 0.69 PDE4B (0.46) KDM4EMEN1KMT2AALDH1A1
SCHEMBL8096663 0.69 ENPP2 (0.43) KDM4EALDH1A1
SCHEMBL13945358 0.69 AR (0.40) KDM4EMEN1KMT2ADHODHALDH1A1

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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 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 (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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 FABP3 521/4885FABP4 1587/4885KDM4E 3807/4885

“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.