SCHEMBL3647916

SCHEMBL3647916

Cc1ccc(C(CC(C)C)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ EPHX1 P07099 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3642653 0.84 FFAR2 (0.50) EPHX1LMNACYP2C19POLBL3MBTL1
SCHEMBL3036448 0.83 EPHX1 (0.59) ALOX5EPHX1LMNACTSSCTSK
SCHEMBL6998990 0.83 POLB (0.51) ACHEALOX5LMNASTAT3CTSS
SCHEMBL16750534 0.81 ALOX5 (0.46) ACHEALOX5EPHX1LMNASTAT3
SCHEMBL26898446 0.81 ALDH1A1 (0.50) ACHEALOX5EPHX1LMNACYP2C19
SCHEMBL4351778 0.80 PSEN1 (0.56) EPHX1ALDH1A1
SCHEMBL30699923 0.79 CYP2C19 (0.51) ACHEALOX5EPHX1LMNASTAT3
SCHEMBL2739001 0.77 ADRB2 (0.47) ACHEALOX5LMNAPOLBCNR1
SCHEMBL6340898 0.77 TDP1 (0.46) LMNACYP2C19POLBHPGDALDH1A1
SCHEMBL11080596 0.76 ALOX5 (0.46) ACHEALOX5EPHX1LMNASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A ACHE 164/4885ALOX5 795/4885EPHX1 827/4885

“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.

Send feedback