SCHEMBL7470506

SCHEMBL7470506

CN1CC[C@@H](Oc2cccnc2-c2cccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.41
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 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
Hydrochloric Acid SCHEMBL7466317 0.99 NOS3 (0.42) NOS3NOS1NOS2UTS2RHTR2C
SCHEMBL7468135 0.81 MCHR1 (0.53) MEN1KMT2AL3MBTL1
SCHEMBL21238938 0.81 CYP11B1 (0.42) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL7466506 0.80 GPR119 (0.46) —
SCHEMBL7464367 0.77 HTR1A (0.48) HTR2CHTR2BSLC6A4
SCHEMBL7462776 0.77 HTR1A (0.48) HTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL7461585 0.76 HTR1A (0.47) HTR2CHTR2BSLC6A4
Hydrochloric Acid SCHEMBL7458828 0.76 HTR1A (0.47) HTR2CHTR2BSLC6A4
SCHEMBL30541545 0.75 NOS3 (0.48) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL30820578 0.73 HRH3 (0.46) NOS3NOS1NOS2UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 — — US claimed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 — — EP claimed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 — — WO claimed
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 — — US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 — — EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 — — 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 (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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE NOS3 2052/4885NOS1 3809/4885NOS2 3676/4885

“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.

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