SCHEMBL11982015

SCHEMBL11982015

CCC(C)(CN)CC(C)(C)CN

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7886739 0.92 CYP2D6 (0.50) CYP2D6KDM4ETSHRTDP1
SCHEMBL14417920 0.85 CYP2D6 (0.39) CYP2D6TSHRTDP1
SCHEMBL13913307 0.83 CYP2D6 (0.33) CYP2D6
SCHEMBL27422934 0.82 CYP2D6 (0.37) CYP2D6TSHRTDP1
SCHEMBL24040088 0.82 CYP2D6 (0.35) CYP2D6
SCHEMBL11982156 0.82 CYP2D6 (0.41) CYP2D6KDM4E
SCHEMBL13066194 0.80 TSHR (0.39) CYP2D6TSHRTDP1
SCHEMBL13632467 0.78
SCHEMBL8858904 0.78
SCHEMBL12345554 0.77 CYP2D6 (0.53) CYP2D6KDM4ETSHRTDP1

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-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPOSEUTICALS, INC. 2012-08-09 US disclosed
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 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-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPC, FUT6, UGCG CYP2D6 408/4885KDM4E 2535/4885TSHR 3962/4885
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C CYP2D6 1708/4885KDM4E 3281/4885TSHR 2204/4885

“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.