SCHEMBL3426540

SCHEMBL3426540

CN1CCN(c2noc(N)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.49
KMT2A Q03164 1/20 0.49
ALOX15 P16050 1/20 0.43
HTR3A P46098 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL3275993 0.80 RAB9A (0.49) KMT2AALOX15
SCHEMBL25124628 0.78 HRH4 (0.46) HRH4KMT2AALOX15HTR3A
SCHEMBL21939007 0.74 ACHE (0.51) HRH4KMT2AHTR6
SCHEMBL27082996 0.71 HRH4 (0.59) HRH4KMT2AHTR3AHTR6
SCHEMBL5032275 0.71 HRH4 (0.78) HRH4HTR6
SCHEMBL21939030 0.70 ALOX5AP (0.42) HRH4KMT2AHTR3AHTR6
SCHEMBL21939024 0.70 PIK3CA (0.47) HRH4HTR3AHTR6
SCHEMBL21939028 0.69 HRH4 (0.43) HRH4KMT2A
SCHEMBL26037956 0.68 HRH4 (0.61) HRH4KMT2AHTR3A
SCHEMBL19439697 0.67 HRH4 (0.64) HRH4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B HRH4 80/4885KMT2A 1042/4885ALOX15 987/4885

“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.