SCHEMBL16600285

SCHEMBL16600285

[CH2]C(=O)N1CCC(c2ccncc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
SPR P35270 1/20 0.54
LMNA P02545 3/20 0.48
NAMPT P43490 1/20 0.47
CYP2C9 P11712 1/20 0.46
EPHX2 P34913 1/20 0.46
CYP2J2 P51589 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
SCD5 Q86SK9 3/20 0.45
SCD O00767 1/20 0.45
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL2807714 0.85 HSD11B1 (0.58) HSD11B1SPRLMNANAMPTCYP2C9
SCHEMBL14276847 0.84 HSD11B1 (0.56) HSD11B1SPRLMNANAMPTCYP2C9
SCHEMBL20149063 0.84 HSD11B1 (0.60) HSD11B1SPRLMNANAMPTCYP2C9
SCHEMBL14413518 0.84 HSD11B1 (0.56) HSD11B1SPRLMNANAMPTCYP2C9
SCHEMBL1197267 0.83 RAB9A (0.63) HSD11B1SPRLMNACYP2C9RAB9A
SCHEMBL3928801 0.82 HSD11B1 (0.60) HSD11B1SPRLMNANAMPTRAB9A
SCHEMBL16600231 0.81 RAB9A (0.61) NAMPTRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21740809 0.80 HSD11B1 (0.53) HSD11B1SPRLMNANAMPTCYP2C9
SCHEMBL17040329 0.80 PDE4B (0.55) HSD11B1SPRLMNANAMPTCYP2C9
SCHEMBL16565829 0.79 RAB9A (0.67) HSD11B1SPRLMNANAMPTRAB9A

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 HSD11B1 3859/4885SPR 974/4885LMNA 1232/4885

“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.