SCHEMBL17103221

SCHEMBL17103221

Fc1ccc2ncsc2c1.c1ccc2c(c1)ncn2CCCCN1CCN(c2ccsn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.48
DRD3 P35462 7/20 0.48
DRD4 P21917 3/20 0.48
P2RX7 Q99572 1/20 0.43
HTR7 P34969 5/20 0.38
HTR1A P08908 5/20 0.38
HTR2A P28223 3/20 0.38
DRD5 P21918 3/20 0.38
ADRA2C P18825 2/20 0.38
DRD1 P21728 2/20 0.38
HRH1 P35367 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15748307 0.76 DRD2 (0.53) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL6846842 0.71 DRD2 (0.81) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL15748341 0.71 DRD2 (0.76) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL17103097 0.69 DRD2 (0.54) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL29876354 0.69 DRD2 (0.65) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL17103095 0.69 DRD2 (0.53) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL15748264 0.69 DRD2 (0.53) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL15748300 0.69 DRD2 (0.53) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL15748299 0.68 DRD2 (0.65) DRD2DRD3DRD4P2RX7HTR7
SCHEMBL8418073 0.68 DRD2 (0.70) DRD2DRD3DRD4P2RX7HTR7

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 3 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
EP-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP 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 DRD2 725/4885DRD3 932/4885DRD4 678/4885

“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.