SCHEMBL29318270

SCHEMBL29318270

C[C@H]1CC[C@H](COc2cncc(Br)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.56
CHRNA4 P43681 4/20 0.56
ATM Q13315 1/20 0.39
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

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
SCHEMBL15716501 0.92 CHRNB2 (0.58) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL14941165 0.86 CHRNB2 (0.59) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL188620 0.84 CHRNB2 (0.58) CHRNB2CHRNA4
SCHEMBL24568237 0.82 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL29318733 0.82 CHRNB2 (0.52) CHRNB2CHRNA4
SCHEMBL29318218 0.82 CHRNB2 (0.38) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL3103772 0.82 CHRNB2 (0.52) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL25447379 0.81 CHRNB2 (0.49) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL29318739 0.80 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL19959133 0.78 CHRNB2 (0.62) 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 2107/4885ATM 4157/4885

“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.