SCHEMBL17417624

SCHEMBL17417624

CCCCn1c(N2CCNCC2)nc2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.73

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
SCHEMBL7432371 0.92 HTR3A (0.74) HTR3A
SCHEMBL6596582 0.92 HTR3A (0.66) HTR3A
Iodide SCHEMBL7628527 0.91 HTR3A (0.65) HTR3A
SCHEMBL5512679 0.86 HTR3A (0.71) HTR3A
SCHEMBL9212633 0.84 HTR3A (0.66) HTR3A
SCHEMBL15963088 0.81
SCHEMBL6593770 0.81 HTR3A (0.65) HTR3A
SCHEMBL7484664 0.81 HTR3A (0.61) HTR3A
SCHEMBL2709699 0.80 HTR3A (0.63) HTR3A
Iodide SCHEMBL7622185 0.80 HTR3A (0.64) HTR3A

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-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 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-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 HTR3A 1122/4885

“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.