SCHEMBL17192201

SCHEMBL17192201

Cc1cccc(N2CCN(CCCCn3c(C)nc4ccccc43)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.64
HTR1A P08908 6/20 0.59
HTR7 P34969 3/20 0.59
P2RX7 Q99572 1/20 0.59
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
DRD3 P35462 3/20 0.54
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.50
DRD2 P14416 2/20 0.49
CACNA1G O43497 1/20 0.48

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
SCHEMBL17192206 0.88 KCNH2 (0.64) KCNH2HTR1AHTR7HTR2AHTR2C
SCHEMBL7081243 0.87 HTR7 (0.67) KCNH2HTR1AHTR7P2RX7DRD3
SCHEMBL15748179 0.87 HTR7 (0.55) KCNH2HTR1AHTR7P2RX7HTR2A
SCHEMBL15748232 0.86 SIGMAR1 (0.59) KCNH2HTR1AHTR7P2RX7HTR2A
SCHEMBL8416338 0.80 P2RX7 (0.63) HTR1AHTR7P2RX7HTR2ADRD3
SCHEMBL4519876 0.80 KCNH2 (1.00) KCNH2HTR7
SCHEMBL17192200 0.80 DRD3 (0.72) KCNH2HTR1AHTR7P2RX7HTR2A
SCHEMBL17192207 0.80 KCNH2 (0.64) KCNH2HTR1AP2RX7HTR2AHTR2C
SCHEMBL4523970 0.79 KCNH2 (1.00) KCNH2HTR7
SCHEMBL17192211 0.79 KCNH2 (0.67) KCNH2HTR1AP2RX7HTR2AHTR2C

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-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-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 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
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 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 (2 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-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 KCNH2 57/4885HTR1A 276/4885HTR7 577/4885
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 KCNH2 187/4885HTR1A 666/4885HTR7 657/4885

“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.