SCHEMBL16749609

SCHEMBL16749609

CN1CCC2(CC1)SC(=O)CN2C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.32

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
SCHEMBL12621790 0.86 GRIN2D (0.35)
SCHEMBL15381442 0.78 NEK2 (0.35) NEK2
SCHEMBL20362782 0.71
SCHEMBL15381292 0.69 CHRM2 (0.35) NEK2
SCHEMBL21325142 0.68
SCHEMBL12655991 0.68 OPRM1 (0.31)
SCHEMBL16749610 0.66 NEK2 (0.32) NEK2
SCHEMBL15434338 0.66 ALDH1A1 (0.35) NEK2
SCHEMBL20789121 0.64 GRIN2D (0.34)
SCHEMBL15381270 0.62 USP2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433604-B2 Method for inhibiting growth of cancer cells PAIN THERAPEUTICS INC. (US) 2016-09-06 US disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS, INC. 2015-05-28 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 NEK2 883/4885
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS FLNA, FLNB, FSCN1 NEK2 502/4885

“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.