SCHEMBL4960797

SCHEMBL4960797

CC(Oc1ccc(Cl)nc1)C1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.54
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDCD1LG2 Q9BQ51 2/20 0.38
CD274 Q9NZQ7 2/20 0.38

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
SCHEMBL7405130 0.80 SLC6A2 (0.39) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL4961589 0.80 SLC6A2 (0.39) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7408811 0.80 SLC6A2 (0.39) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8550597 0.79 SLC6A2 (0.35) CHRNA3CHRNB2CHRNA4CHRNB4SLC6A2
Hydrochloric Acid SCHEMBL7406975 0.79 CHRNB2 (0.38) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8554864 0.79 SLC6A2 (0.35) CHRNA3CHRNB2CHRNA4CHRNB4SLC6A2
Hydrochloric Acid SCHEMBL7410705 0.79 CHRNB2 (0.38) CHRNA3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7417197 0.78 CHRNA3 (0.41) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL7408878 0.78 CHRNB2 (0.37) CHRNB2CHRNA4PDCD1LG2CD274
SCHEMBL8550798 0.78 CHRNB2 (0.37) CHRNB2CHRNA4PDCD1LG2CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176826-A1 Pyridine Compounds For Combating Arthropod Pests and Nematodes BASF AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
EP-1891045-A2 PYRIDINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2008-02-27 EP disclosed
WO-2006125641-A2 PYRIDINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 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-20080176826-A1 Pyridine Compounds For Combating Arthropod Pests and Nematodes C5, CHRM1, ACHE CHRNA3 364/4885CHRNB2 679/4885CHRNA4 300/4885

“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.