SCHEMBL29318218

SCHEMBL29318218

Bc1cncc(OC[C@H]2CC[C@H](C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB3 Q05901 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL29318270 0.82 CHRNB2 (0.56) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL29321182 0.81 SCN9A (0.40) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL14473816 0.76 CHRNB2 (0.60) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL19446091 0.73 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL13135282 0.73 HPGD (0.57) HPGD
SCHEMBL13335329 0.72 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL15716501 0.72 CHRNB2 (0.58) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL19405964 0.72 CHRNB4 (0.61) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL10141670 0.72 KDM1A (0.42) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL21325266 0.72 CHRNB4 (0.42) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6

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 2107/4885KDM4E 3783/4885

“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.