SCHEMBL13630734

SCHEMBL13630734

N#CC(C=O)=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SIGMAR1 Q99720 3/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.43
DRD4 P21917 3/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
MC4R P32245 1/20 0.41
KCNA3 P22001 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
SCHEMBL989510 0.78 KMT2A (0.70) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL5553255 0.77 KMT2A (0.54) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL9832661 0.75 KMT2A (0.52) KMT2AMEN1SIGMAR1ALDH1A1OPRM1
SCHEMBL16579976 0.73 KMT2A (0.78) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL15962261 0.72 SIGMAR1 (0.61) KMT2AMEN1SIGMAR1LMNADRD4
SCHEMBL6745218 0.72 SIGMAR1 (0.61) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL10967640 0.71 LMNA (0.55) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL546987 0.71 MEN1 (0.49) KMT2AMEN1SIGMAR1
SCHEMBL5395547 0.71 ALDH1A1 (0.56) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL2408307 0.71 SIGMAR1 (0.55) KMT2AMEN1SIGMAR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281133-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-11-12 US disclosed
US-20090093501-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-04-09 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 (2 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-20090281133-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 KMT2A 3845/4885MEN1 4203/4885SIGMAR1 18/4885
US-20090093501-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 KMT2A 3635/4885MEN1 4450/4885SIGMAR1 28/4885

“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.