SCHEMBL4484776

SCHEMBL4484776

CC(N)CN1CCC(c2ncccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
GRM2 Q14416 2/20 0.34
HRH1 P35367 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 1/20 0.33
CCR2 P41597 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
LMNA P02545 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL6926358 0.78 DRD2 (0.40) PDCD1LG2CD274GRM2DRD2KMT2A
SCHEMBL16217986 0.74 HTR4 (0.41) GRM2CHRM2CHRM4CHRM5CHRM1
SCHEMBL4327178 0.73 KDM4E (0.49) LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4483202 0.72 KDM4E (0.48) LMNAMEN1KMT2A
SCHEMBL3584144 0.71 GAA (0.42) HTR2AHTR2BCHRM2CHRM4CHRM5
SCHEMBL15033117 0.71 CHRM2 (0.37) PDCD1LG2CD274GRM2CHRM2CHRM4
SCHEMBL6795991 0.70 PDCD1LG2 (0.36) PDCD1LG2CD274GRM2CHRM2CHRM4
SCHEMBL4327148 0.69 DPP4 (0.35) SLC18A3
SCHEMBL2710149 0.69 ACHE (0.57) DRD2MEN1KMT2A
SCHEMBL4486168 0.69 IGF1R (0.56) DRD2LMNAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 SLC18A3 1684/4885PDCD1LG2 4277/4885CD274 4342/4885

“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.