SCHEMBL3637896

SCHEMBL3637896

CCCC(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.50
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
KMT2A Q03164 2/20 0.42
BRD4 O60885 1/20 0.42
MMP9 P14780 2/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL27515059 0.85 FFAR2 (0.48) FFAR2CYP2C9CYP2C19POLBMEN1
SCHEMBL23564521 0.85 FFAR2 (0.48) FFAR2CYP2C9CYP2C19POLBMEN1
SCHEMBL6344322 0.84 POLB (0.55) FFAR2CYP2C9CYP2C19POLBMEN1
SCHEMBL4826506 0.84 GABBR2 (0.46) CYP2C9CYP2C19POLBMEN1CYP2D6
SCHEMBL4938891 0.84 ESR1 (0.47) CYP2C9CYP2C19CYP2D6MMP9MMP8
SCHEMBL27438873 0.84 FFAR2 (0.51) FFAR2CYP2C9CYP2C19POLBMEN1
SCHEMBL11082974 0.82 CYP2C9 (0.42) CYP2C9CYP2C19POLBMEN1CYP2D6
SCHEMBL27658097 0.82 ALDH1A1 (0.45) MMP9MMP8MMP13
SCHEMBL2183709 0.81 EPHX1 (0.59) CYP2C9CYP2C19CYP2D6MMP9MMP8
SCHEMBL9577449 0.81 FFAR2 (0.49) FFAR2CYP2C9CYP2C19POLBMEN1

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 6 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
WO-1993013766-A1 TREATMENT OF INVOLUNTARY MOVEMENTS WITH 5HT1A RECEPTOR AGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-07-22 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 FFAR2 261/4885CYP2C9 1253/4885CYP2C19 926/4885

“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.