SCHEMBL16600340

SCHEMBL16600340

O=C1CCC2(CCNCC2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.43
OR51E2 Q9H255 1/20 0.42
FKBP5 Q13451 1/20 0.41
NEK2 P51955 1/20 0.38
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 3/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 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
SCHEMBL6920965 0.91 CRBN (0.48) CRBNOR51E2FKBP5
SCHEMBL13459880 0.84 OR51E2 (0.46) CRBNOR51E2FKBP5
SCHEMBL10920234 0.84 CRBN (0.42) CRBNOR51E2FKBP5NEK2CYP2D6
SCHEMBL516011 0.84 OR51E2 (0.46) CRBNOR51E2FKBP5
Hydrochloric Acid SCHEMBL17319046 0.83 CRBN (0.41) CRBNOR51E2FKBP5NEK2CYP2D6
SCHEMBL1133336 0.79 NEK2 (0.39) CRBNOR51E2FKBP5NEK2CYP2D6
SCHEMBL4129906 0.78 NEK2 (0.37) CRBNNEK2CYP2D6CYP3A4TSHR
SCHEMBL20417911 0.78 NEK2 (0.41) CRBNOR51E2FKBP5NEK2TSHR
Hydrochloric Acid SCHEMBL2203698 0.76 NEK2 (0.35) CRBNNEK2CYP2D6CYP3A4TSHR
SCHEMBL11821175 0.72 NPC1 (0.39) CRBNOR51E2FKBP5TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO 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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 CRBN 3667/4885OR51E2 4243/4885FKBP5 2003/4885

“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.