SCHEMBL12656341

SCHEMBL12656341

CCN1CCC2(CC1)NCCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 3/20 0.45
▸ TSHR P16473 1/20 0.33
▸ OPRM1 P35372 2/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL12656308 0.83 NEK2 (0.66) NEK2TSHROPRM1OPRD1OPRK1
SCHEMBL15694871 0.81 NEK2 (0.34) NEK2TSHR
SCHEMBL15478459 0.81 NEK2 (0.68) NEK2OPRM1KDM4E
SCHEMBL12624271 0.77 NEK2 (0.45) NEK2OPRM1
SCHEMBL12673040 0.76 TSHR (0.41) TSHROPRM1OPRD1OPRK1KDM4E
SCHEMBL12627243 0.74 GAA (0.54) TSHRKDM4EGAAALDH1A1
SCHEMBL21739459 0.74 CYP11B1 (0.47) OPRM1OPRD1OPRK1KDM4EGAA
SCHEMBL12656159 0.72 TSHR (0.39) TSHRKDM4EGAA
SCHEMBL22256990 0.71 PDCD1LG2 (0.42) OPRM1OPRD1OPRK1CRBNKDM4E
SCHEMBL21673277 0.69 PDCD1LG2 (0.38) NEK2TSHROPRM1OPRD1OPRK1

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-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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 (2 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-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 NEK2 837/4885TSHR 4404/4885OPRM1 27/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 NEK2 883/4885TSHR 4455/4885OPRM1 8/4885

“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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