SCHEMBL7470501

SCHEMBL7470501

CN1CC[C@@H](Oc2cncc(-c3cccs3)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.57
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNB3 Q05901 1/20 0.57
FYN P06241 1/20 0.40
PRKCZ Q05513 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 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 SCHEMBL7466311 0.99 CHRNB1 (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL30820578 0.82 HRH3 (0.46) UTS2RHDAC3HDAC1HDAC2NOS3
SCHEMBL7468132 0.82 ROCK1 (0.48) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7460847 0.81 CHRNB2 (0.53) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7466503 0.81 GPR119 (0.50) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL7466515 0.80 CHRNB2 (0.52) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7456609 0.79 CHRNB1 (0.55) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL7461540 0.78 CHRNB1 (0.54) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7462771 0.77 PRKCZ (0.63) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7464361 0.77 PRKCZ (0.63) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 CHRNB1 97/4885CHRNB2 16/4885CHRNB4 11/4885

“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.