SCHEMBL5187339

SCHEMBL5187339

CC(C)(C)OC(=O)N1CC(=O)c2ncn(CCSc3ccccc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
USP7 Q93009 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DTYMK P23919 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL5251685 0.85 CYP1A2 (0.40) SMN1; SMN2THRBNPC1RAB9ACYP1A2
SCHEMBL5185603 0.83 P2RX3 (0.41) P2RX3SMN1; SMN2OPRD1OPRK1GAA
SCHEMBL5185597 0.83 P2RX3 (0.41) P2RX3SMN1; SMN2OPRD1OPRK1GAA
SCHEMBL5185297 0.82 P2RX3 (0.37) P2RX3OPRD1OPRK1CKS1BSKP1
SCHEMBL5186451 0.81 ALDH1A1 (0.37) P2RX3SMN1; SMN2GAATHRBNPC1
SCHEMBL5187215 0.80 CKS1B (0.37) P2RX3SMN1; SMN2GAATHRBCKS1B
SCHEMBL4146994 0.78 NPC1 (0.36) P2RX3SMN1; SMN2GAATHRBCKS1B
SCHEMBL5186460 0.75 P2RX3 (0.38) P2RX3SMN1; SMN2GAATHRBUSP7
SCHEMBL5187025 0.70 P2RX3 (0.41) P2RX3SMN1; SMN2OPRD1OPRK1GAA
SCHEMBL5251684 0.69 NPC1 (0.38) SMN1; SMN2THRBNPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS P2RX3 1177/4885SMN1; SMN2 4184/4885OPRD1 3166/4885

“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.