SCHEMBL3244601

SCHEMBL3244601

Cc1ccc(CCCCC[C]=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
SLC16A3 O15427 1/20 0.40
DAO P14920 1/20 0.38
CYP2A6 P11509 1/20 0.33
CNR2 P34972 3/20 0.32
SLC6A4 P31645 1/20 0.32
SLC2A1 P11166 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD1 O95696 1/20 0.31
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
NPBWR1 P48145 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL3250711 0.81 SIGMAR1 (0.42) DAOSLC6A4NPBWR1
SCHEMBL3242863 0.80 SLC2A1 (0.52) SLC6A4SLC2A1CYP2C9SMN1; SMN2
SCHEMBL7650731 0.78 CYP1A2 (0.46) CYP1A2SLC16A3DAOCYP2A6CNR2
SCHEMBL27455037 0.78 CYP1A2 (0.50) CYP1A2CYP2A6CNR2CYP3A4LIPG
SCHEMBL3244602 0.77 CYP1A2 (0.42) CYP1A2SLC16A3DAOCYP2A6CNR2
SCHEMBL3247818 0.77 HDAC1 (0.34) SLC2A1
SCHEMBL3220289 0.77 MTNR1A (0.44) CYP1A2SLC16A3DAOCYP2D6CYP2C9
SCHEMBL11842602 0.77 MTNR1A (0.44) CYP1A2SLC16A3DAOCYP2D6CYP2C9
SCHEMBL5609365 0.76 TSHR (0.42) CYP1A2CYP2A6SLC6A4SLC2A1CYP2C9
SCHEMBL7648088 0.76 CYP1A2 (0.48) CYP1A2SLC16A3DAOCYP2A6CNR2

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CYP1A2 1561/4885SLC16A3 4388/4885DAO 386/4885

“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.