SCHEMBL6107779

SCHEMBL6107779

O=C(Nc1cccc(CCN2CCN(c3nsc4ccccc34)CC2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.63
HTR2A P28223 13/20 0.63
DRD2 P14416 12/20 0.63
KCNH2 Q12809 11/20 0.63
HTR7 P34969 3/20 0.61
HTR6 P50406 1/20 0.61
DRD3 P35462 2/20 0.60
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59

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
SCHEMBL6107374 0.93 HTR1A (0.68) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6106609 0.93 HTR1A (0.65) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6105879 0.92 HTR2A (0.56) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6105536 0.92 HTR1A (0.58) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6106147 0.92 HTR1A (0.60) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6106916 0.92 HTR1A (0.61) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6104310 0.91 HTR1A (0.56) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6106265 0.91 HTR1A (0.57) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6106283 0.91 HTR1A (0.68) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6108081 0.91 HTR1A (0.59) HTR1AHTR2ADRD2KCNH2HTR7

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-7101886-B2 Phenylalkyl and pyridylalkyl piperazine derivatives WARNER LAMBERT COMPANY (US) 2006-09-05 US disclosed
US-20040186108-A1 Phenylalkyl and pyridylalkyl piperazine derivatives CHO STEPHEN SUNG YONG (US) 2004-09-23 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-20040186108-A1 Phenylalkyl and pyridylalkyl piperazine derivatives CNR1, CNR2, PMP22 HTR1A 23/4885HTR2A 61/4885DRD2 45/4885

“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.