SCHEMBL4455482

SCHEMBL4455482

NC(=O)CC1(C(N)=O)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
BLM P54132 1/20 0.39
CACNA2D1 P54289 1/20 0.39
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL15774511 0.93 CYP2C19 (0.38) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL4450788 0.87 CYP2C19 (0.32) CYP2C19ALDH1A1USP2LMNACYP1A2
SCHEMBL8914159 0.84 CYP2C19 (0.68) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL17085549 0.82 CYP2C19 (0.43) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL20000117 0.81 CYP2C19 (0.39) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL27585847 0.81 CYP2C19 (0.64) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL11383842 0.79 CYP2C19 (0.41) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL5132557 0.78 ALDH1A1 (0.45) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL6136974 0.78 CYP2C19 (0.43) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL10822133 0.77 CYP2C19 (0.39) CYP2C19ALDH1A1SMN1; SMN2TSHRUSP2

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 US disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 CYP2C19 2889/4885ALDH1A1 1468/4885SMN1; SMN2 1437/4885

“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.