SCHEMBL18208992

SCHEMBL18208992

O=C(NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)c1cnn2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NLRP3 Q96P20 1/20 0.54
IRAK4 Q9NWZ3 13/20 0.51
JAK2 O60674 3/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
JAK1 P23458 1/20 0.51
TNKS O95271 1/20 0.47
SYK P43405 2/20 0.47
IRAK1 P51617 1/20 0.47

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
SCHEMBL18208994 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ANLRP3IRAK4
SCHEMBL18208934 0.90 TNKS (0.55) SMN1; SMN2IRAK4KDM4EHSD17B10TNKS
SCHEMBL18208937 0.90 TNKS (0.55) SMN1; SMN2IRAK4KDM4EHSD17B10TNKS
SCHEMBL18208212 0.86 JAK2 (0.52) SMN1; SMN2IRAK4JAK2KDM4EHSD17B10
SCHEMBL18208215 0.86 JAK2 (0.52) SMN1; SMN2IRAK4JAK2KDM4EHSD17B10
SCHEMBL18208721 0.86 KDM4E (0.52) SMN1; SMN2IRAK4JAK2KDM4EHSD17B10
SCHEMBL18208718 0.86 KDM4E (0.52) SMN1; SMN2IRAK4JAK2KDM4EHSD17B10
SCHEMBL18208419 0.86 KDM4E (0.52) SMN1; SMN2NPC1RAB9AIRAK4JAK2
SCHEMBL18208420 0.86 KDM4E (0.52) SMN1; SMN2NPC1RAB9AIRAK4JAK2
SCHEMBL18208122 0.85 KDM4E (0.50) SMN1; SMN2IRAK4JAK2CYP3A4KDM4E

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S SMN1; SMN2 1153/4885NPC1 558/4885RAB9A 77/4885

“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.