SCHEMBL16472256

SCHEMBL16472256

COC(=O)N1CC(C)C(C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.46
▸ CHRNA4 P43681 3/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ TSHR P16473 1/20 0.42
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL19448337 0.82 GAA (0.40) CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL25010445 0.82 NR1H2 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL16472382 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL12683426 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL19448336 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL21025382 0.76 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL10005081 0.73 — —
SCHEMBL18231641 0.73 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL26151487 0.73 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL19710631 0.72 TSHR (0.54) CHRNB2CHRNA4CHRNB4CHRNA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 — — US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 — — 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-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 CHRNB2 4872/4885CHRNA4 4768/4885CHRNB4 4849/4885

“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.

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