SCHEMBL3222860

SCHEMBL3222860

O=C(O)NC1CCN(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCR2 P41597 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SSTR4 P31391 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL3227404 0.86 ROCK1 (0.43) KCNMA1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL3225528 0.85 CKS1B (0.50)
SCHEMBL3214786 0.83 ROCK2 (0.46) KCNMA1
SCHEMBL3267839 0.81 CKS1B (0.47)
SCHEMBL3220338 0.80 PIM1 (0.50)
SCHEMBL3229389 0.78 AKT2 (0.47) KCNMA1MEN1KMT2ACYP1A2
SCHEMBL13456048 0.77 AKT1 (0.37) KCNMA1CYP2C19SSTR4
SCHEMBL17506213 0.76 MEN1 (0.43) MEN1KMT2ACYP2C19CYP46A1SIGMAR1
SCHEMBL20689362 0.76 KCNMA1 (0.48) KCNMA1
SCHEMBL22049863 0.76 EPHX2 (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B KCNMA1 1644/4885MEN1 2014/4885KMT2A 2499/4885

“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.