SCHEMBL16472303

SCHEMBL16472303

CC(C)N1CCC(C)(O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.36
▸ MMP2 P08253 4/20 0.36
▸ MMP9 P14780 4/20 0.36
▸ ADAM17 P78536 3/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RARA P10276 2/20 0.31
▸ RARB P10826 2/20 0.31
▸ RARG P13631 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OPRL1 P41146 1/20 0.31

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
SCHEMBL16472432 1.00 MMP1 (0.36) MMP1MMP2MMP9ADAM17HSD11B1
SCHEMBL13216615 0.78 RARA (0.35) MMP1MMP2MMP9ADAM17MAPT
SCHEMBL13036900 0.75 MMP1 (0.33) MMP1MMP2MMP9ADAM17OPRM1
SCHEMBL14488660 0.72 LMNA (0.37) MMP1MMP2MMP9HSD11B1MAPT
SCHEMBL16478702 0.71 — —
SCHEMBL16532437 0.71 — —
SCHEMBL16179443 0.71 — —
SCHEMBL18650801 0.71 PER2 (0.34) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL13431755 0.71 PRMT1 (0.37) OPRM1OPRD1OPRK1OPRL1
SCHEMBL22591736 0.70 — —

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 MMP1 1909/4885MMP2 3413/4885MMP9 2261/4885

“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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