SCHEMBL12656308

SCHEMBL12656308

CCN1CCC2(CC1)NCC(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 3/20 0.66
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NSD2 O96028 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL12656341 0.83 NEK2 (0.45) NEK2KDM4EALDH1A1OPRM1OPRD1
SCHEMBL12656373 0.80 NEK2 (0.50) NEK2ALDH1A1TSHRNSD2SMN1; SMN2
SCHEMBL12627055 0.79 NEK2 (1.00) NEK2KDM4EOPRM1
SCHEMBL12662735 0.78 NEK2 (0.56) NEK2OPRM1OPRD1OPRK1
SCHEMBL12624822 0.75 NEK2 (0.66) NEK2OPRM1
SCHEMBL21673277 0.72 PDCD1LG2 (0.38) NEK2KDM4EALDH1A1OPRM1OPRD1
SCHEMBL12626437 0.72 KDM1A (0.53) NEK2TSHR
SCHEMBL4035058 0.71 NEK2 (0.61) NEK2KDM4EALDH1A1GAA
SCHEMBL8029442 0.70 NEK2 (0.65) NEK2KDM4EALDH1A1GAATSHR
SCHEMBL12673040 0.70 TSHR (0.41) KDM4EALDH1A1OPRM1OPRD1OPRK1

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 837/4885KDM4E 2871/4885ALDH1A1 3041/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 NEK2 883/4885KDM4E 3242/4885ALDH1A1 2575/4885

“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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