Sugi Predict

Sugi Predict / Compounds / SCHEMBL5958367

SCHEMBL5958367

SCHEMBL5958367

CC(c1noc(-c2cc(Cl)ccc2F)n1)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 8/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CYP2D6 P10635 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NMT1 P30419 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5958362 1.00 PLAT (0.42) PLATKCNH2CHRM1CHRM3DPP4
Ethoxycarbonyl Group SCHEMBL27632670 0.89 KCNH2 (0.45) PLATKCNH2CHRM1CHRM3DPP4
SCHEMBL5958406 0.89 PLAT (0.38) PLATKCNH2NMT1SMN1; SMN2MEN1
SCHEMBL5958515 0.89 PLAT (0.38) PLATKCNH2NMT1SMN1; SMN2MEN1
SCHEMBL5958535 0.81 GRM5 (0.48) PLATKCNH2HTR3ATSHRSMN1; SMN2
SCHEMBL5958534 0.81 GRM5 (0.48) PLATKCNH2HTR3ATSHRSMN1; SMN2
SCHEMBL5958623 0.79 KCNH2 (0.68) KCNH2CHRM1DPP4DPP7CYP2D6
SCHEMBL5958602 0.79 KCNH2 (0.68) KCNH2CHRM1DPP4DPP7CYP2D6
Ethoxycarbonyl Group SCHEMBL27613585 0.79 KCNH2 (0.37) PLATKCNH2NMT1SLC6A2SLC6A4
SCHEMBL1545214 0.78 KCNH2 (0.42) PLATKCNH2CHRM1CHRM3DPP4

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
US-20060063772-A1 New compounds ASTRAZENECA AB (SE) 2006-03-23 — — US disclosed
CN-1691944-A Oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2005-11-02 — — CN disclosed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 — — EP disclosed
US-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-07-08 — — US disclosed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 — — WO 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-20040132726-A1 heterocyclic compounds, e.g., 4-(5-m-Tolyl-[1,2,4]oxadiazol-3-ylmethyl)-piperazine-1-carboxylic acid ethyl ester; treatment of mGluR5 receptor-mediated disorders, particularly neurological disorders, psychiatric disorders, acute and chronic pain. GRM5, GRIK5, GRM1 PLAT 3388/4885KCNH2 371/4885CHRM1 124/4885
US-20060063772-A1 New compounds NPY4R, RPS4X, P2RX4 PLAT 2686/4885KCNH2 901/4885CHRM1 7/4885

“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.