SCHEMBL16600474

SCHEMBL16600474

[CH2]C(=O)N1CCc2ccc(Cl)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.71
DRD2 P14416 4/20 0.56
DRD4 P21917 3/20 0.56
HSD17B3 P37058 1/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
XIAP P98170 1/20 0.50
BIRC2 Q13490 1/20 0.50
HTR2B P41595 2/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SPR P35270 1/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL16600492 0.87 NOTUM (0.71) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL4111792 0.85 NOTUM (0.73) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL21425060 0.85 NOTUM (0.73) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL5795715 0.83 NOTUM (1.00) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL5793078 0.83 NOTUM (1.00) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL8895360 0.81 NOTUM (0.68) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL11224906 0.81 NOTUM (0.68) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL20348525 0.80 NOTUM (0.70) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL6966671 0.78 NOTUM (0.64) NOTUMDRD2DRD4HSD17B3HTR2A
SCHEMBL16600192 0.76 CNR2 (0.61) NOTUMHSD17B3HTR2AHTR2CXIAP

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 NOTUM 2534/4885DRD2 4859/4885DRD4 4856/4885

“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.