SCHEMBL13711972

SCHEMBL13711972

Cc1cccc(N2CCN(CCN3CCN(c4cccc(C)c4)CC3)CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.84
ADRB1 P08588 1/20 0.61
HTR7 P34969 2/20 0.58
DRD2 P14416 2/20 0.57
HRH1 P35367 1/20 0.55

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
SCHEMBL14218788 0.91 KCNH2 (0.77) KCNH2ADRB1HTR7DRD2
SCHEMBL4519876 0.91 KCNH2 (1.00) KCNH2HTR7
SCHEMBL13711969 0.91 KCNH2 (0.70) KCNH2HTR7
SCHEMBL12879718 0.90 KCNH2 (0.74) KCNH2ADRB1HTR7DRD2HRH1
SCHEMBL13711970 0.89 KCNH2 (0.74) KCNH2ADRB1HTR7DRD2
SCHEMBL10373770 0.88 ADRB1 (0.74) KCNH2ADRB1HTR7
SCHEMBL11103700 0.88 ADRB1 (0.74) KCNH2ADRB1HTR7
SCHEMBL10819408 0.87 KCNH2 (0.71) KCNH2ADRB1HTR7DRD2
SCHEMBL30563617 0.87 KCNH2 (0.71) KCNH2ADRB1HTR7DRD2
SCHEMBL10990710 0.87 KCNH2 (0.80) KCNH2HTR7

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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 KCNH2 769/4885ADRB1 199/4885HTR7 17/4885

“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.