SCHEMBL4592222

SCHEMBL4592222

O=C(NC1CCCC[N]1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
CCR2 P41597 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 2/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7925 0.94 L3MBTL1 (0.42) HSD11B1L3MBTL1HSD17B10HDAC8HDAC6
SCHEMBL5868732 0.79 EPHX1 (0.33) HTTMAPTALDH1A1EPHX2EPHX1
SCHEMBL714408 0.78 ALDH1A1 (0.36) MAPTALDH1A1EPHX2EPHX1NPC1
SCHEMBL4591723 0.77 MTNR1A (0.34) ALDH1A1EPHX2EPHX1SMN1; SMN2LMNA
SCHEMBL715893 0.71
SCHEMBL4592100 0.71 MTNR1A (0.35) EPHX2EPHX1SMN1; SMN2
SCHEMBL7384194 0.69 NOS2 (0.34)
SCHEMBL9674784 0.69 HSD11B1 (0.41) HSD11B1L3MBTL1HSD17B10POLBMAPT
SCHEMBL3431751 0.69 BTK (0.45) HSD11B1L3MBTL1EPHX1
SCHEMBL3387568 0.69 POLB (0.64) L3MBTL1POLBHTTTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HSD11B1 1213/4885L3MBTL1 1242/4885HSD17B10 1361/4885

“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.