SCHEMBL2240205

SCHEMBL2240205

CNc1nc(Cl)nc(N2CCN(C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HRH4 Q9H3N8 2/20 0.46
HTR3A P46098 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL10155577 0.87 MEN1 (0.54) HTR1ADRD2HRH4HTR3AKMT2A
SCHEMBL12903094 0.83 KMT2A (0.55) HRH4HTR3AKMT2A
SCHEMBL22924659 0.83 KMT2A (0.55) HRH4HTR3AKMT2A
SCHEMBL12490124 0.81 SMN1; SMN2 (0.63) KMT2A
SCHEMBL778158 0.81 HRH1 (0.47) KMT2A
SCHEMBL25724011 0.81 HRH4 (0.59) HTR1ADRD2HRH4HTR3AKMT2A
SCHEMBL2259115 0.78 HTR2A (0.52) HTR1ADRD2KMT2A
SCHEMBL3026440 0.76 L3MBTL1 (0.45) KMT2A
SCHEMBL22661439 0.75 HRH4 (0.61) HTR1ADRD2HRH4HTR3AKMT2A
SCHEMBL22603853 0.75 HRH4 (0.61) HTR1ADRD2HRH4HTR3AKMT2A

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
EP-2097378-B1 NOVEL SEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC (US) 2012-09-12 EP disclosed
US-7994317-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2011-08-09 US disclosed
US-20100069391-A1 Novel sEH Inhibitors and Their Use SMITHKLINE BEECHAM CORPORATION 2010-03-18 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-20100069391-A1 Novel sEH Inhibitors and Their Use FAH, NCEH1, SELENOI HTR1A 4126/4885DRD2 4745/4885HRH4 533/4885

“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.