SCHEMBL5173871

SCHEMBL5173871

C[C@@H](COc1ccc(F)nc1)N(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL5175410 1.00 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL5173829 0.83 MMP2 (0.39)
SCHEMBL5172803 0.80 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL5173626 0.79 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL5173631 0.79 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL5172747 0.79 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL5174095 0.77 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL5174090 0.77 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL7228431 0.77 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL2889610 0.73 CHRNB2 (0.42) CHRNB2CHRNA4

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
EP-1257535-B1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2007-05-23 EP disclosed
US-6656958-B2 Preferred compounds are 3'-(5'- and/or 6'-substituted) pyridyl ethers; selectively controlling neurotransmitter release in mammals using these compounds ABBOTT LABORATORIES 2003-12-02 US disclosed
EP-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP disclosed
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBVIE INC. 2002-05-16 US disclosed
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBOTT LABORATORIES 2001-10-25 US disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 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-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission SLC18A2, SLC18A3, CHRNA4 CHRNB2 19/4885CHRNA4 3/4885
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission SLC18A2, SLC18A3, CHRNA4 CHRNB2 19/4885CHRNA4 3/4885

“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.