SCHEMBL16600640

SCHEMBL16600640

[CH2]C(=O)N1CCCC2(CNC(=O)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP3A4 P08684 9/20 0.35
CYP2D6 P10635 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HIF1A Q16665 1/20 0.33
PIK3CA P42336 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 2/20 0.32
USP2 O75604 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
SCHEMBL16600431 0.84 SMN1; SMN2 (0.34) CYP11B1CYP11B2CD274
SCHEMBL31605480 0.81 CYP3A4 (0.40) CYP11B1CYP11B2CYP3A4CYP2D6HSD17B10
SCHEMBL16600198 0.81 CYP11B1 (0.41) CYP11B1CYP11B2PDCD1LG2CD274LRRK2
SCHEMBL30327866 0.78 MKNK1 (0.40) CYP11B2CYP3A4CYP2D6HSD17B10TSHR
SCHEMBL18690046 0.77 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4CYP2D6HSD17B10
SCHEMBL31580332 0.76 CYP11B1 (0.40) CYP11B1CYP11B2CYP3A4CYP2D6HSD17B10
SCHEMBL25809394 0.76 TET3 (0.38) CYP11B1CYP11B2
SCHEMBL29626701 0.75 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4HSD17B10PDCD1LG2
SCHEMBL25051602 0.74 TSHR (0.41) CYP11B1CYP11B2CYP3A4CYP2D6HSD17B10
SCHEMBL25051581 0.74 TSHR (0.41) CYP11B1CYP11B2CYP3A4CYP2D6HSD17B10

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 GRM5 4747/4885CYP11B1 4578/4885CYP11B2 4599/4885

“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.