SCHEMBL2736609

SCHEMBL2736609

Cc1ccc(C(=O)NCc2ccccc2)c(C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
HTT P42858 2/20 0.57
KMT2A Q03164 5/20 0.56
GAA P10253 3/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ESR1 P03372 1/20 0.54
MAPT P10636 1/20 0.54
MAPK10 P53779 1/20 0.54
HPGD P15428 5/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL920179 0.81 ALDH1A1 (0.56) ADORA2AADORA1HTTKMT2AGAA
SCHEMBL923298 0.81 ADORA2A (0.53) ADORA2AADORA1HTTKMT2AGAA
SCHEMBL12142857 0.79 NSD2 (0.66) ADORA2AKMT2AGAAMAPTHPGD
SCHEMBL31569526 0.79 NSD2 (0.66) ADORA2AKMT2AGAAMAPTHPGD
SCHEMBL3946632 0.77 HPGD (0.68) KMT2ACYP2C19ESR1MAPTMAPK10
SCHEMBL31171326 0.76 L3MBTL1 (0.57) HTTKMT2AMAPTHPGDALDH1A1
SCHEMBL10903716 0.76 L3MBTL1 (0.57) HTTKMT2AMAPTHPGDALDH1A1
SCHEMBL31680569 0.76 KMT2A (0.89) KMT2AGAACYP3A4CYP2C9CYP2C19
SCHEMBL11901003 0.76 KMT2A (0.89) KMT2AGAACYP3A4CYP2C9CYP2C19
SCHEMBL1032002 0.76 MAPK1 (0.77) HTTKMT2AGAACYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ADORA2A 312/4885ADORA1 295/4885HTT 4572/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ADORA2A 274/4885ADORA1 185/4885HTT 2610/4885

“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.