SCHEMBL3734066

SCHEMBL3734066

O=C(O)CCn1cc[c]n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 2/20 0.44
MAPK1 P28482 1/20 0.33
ESR1 P03372 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 4/20 0.33
TBXAS1 P24557 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL3746284 0.89 TBXAS1 (0.38) EGLN3MAPK1SMN1; SMN2KMOTBXAS1
SCHEMBL4663218 0.65 EGLN3 (0.50) EGLN3MAPK1ESR1LMNAKMT2A
SCHEMBL1712634 0.65 EGLN3 (0.50) EGLN3MAPK1ESR1KMOLMNA
Hydrochloric Acid SCHEMBL17337686 0.64 EGLN3 (0.48) EGLN3MAPK1ESR1SMN1; SMN2LMNA
SCHEMBL21570204 0.64 EGLN3 (0.44) EGLN3MAPK1ESR1SMN1; SMN2TBXAS1
SCHEMBL960665 0.64 TBXAS1 (0.40) MAPK1SMN1; SMN2TBXAS1MEN1LMNA
SCHEMBL959796 0.64 TBXAS1 (0.40) MAPK1SMN1; SMN2TBXAS1MEN1LMNA
SCHEMBL3736083 0.64 EGLN3 (0.40) EGLN3MAPK1ESR1KMOALDH1A1
SCHEMBL28396604 0.63
SCHEMBL6631580 0.63

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-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 EGLN3 116/4885MAPK1 861/4885ESR1 1165/4885

“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.