SCHEMBL29318733

SCHEMBL29318733

Brc1cncc(OCC2CCNCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 3/20 0.52
EP300 Q09472 3/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
HTR3A P46098 1/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KDM1A O60341 3/20 0.47
PRKCZ Q05513 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL7466333 0.91 SLC6A2 (0.51) CHRNB2CHRNA4SLC6A2SLC6A4KCNH2
SCHEMBL15716501 0.89 CHRNB2 (0.58) CHRNB2CHRNA4
SCHEMBL14941165 0.86 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL188620 0.84 CHRNB2 (0.58) CHRNB2CHRNA4
SCHEMBL29318270 0.82 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL3103772 0.82 CHRNB2 (0.52) CHRNB2CHRNA4
SCHEMBL2441396 0.80 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL24568237 0.79 CHRNB2 (0.64) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7455797 0.79 CHRNB2 (0.67) CHRNB2CHRNA4
SCHEMBL25447379 0.78 CHRNB2 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 US 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP CHRNB2 2532/4885CHRNA4 2107/4885EP300 1990/4885

“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.