SCHEMBL4879948

SCHEMBL4879948

O=C(OC1CNC1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
TPSAB1 Q15661 11/20 0.42
TPSD1 Q9BZJ3 11/20 0.42
TPSG1 Q9NRR2 11/20 0.42
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ADAM10 O14672 3/20 0.38
ERBB2 P04626 3/20 0.38
MMP1 P03956 1/20 0.38
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
PRSS1 P07477 2/20 0.37
F2 P00734 1/20 0.37
MMP2 P08253 1/20 0.35

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
SCHEMBL29788930 0.98 HSD11B1 (0.49) HSD11B1TPSAB1TPSD1TPSG1ALDH1A1
Trifluoroacetic Acid SCHEMBL23111949 0.87 HSD11B1 (0.41) HSD11B1TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL17479093 0.86 TPSAB1 (0.44) HSD11B1TPSAB1TPSD1TPSG1CA2
SCHEMBL22080031 0.84 TP53 (0.42) TPSAB1TPSD1TPSG1POLBMMP1
SCHEMBL20816231 0.84 TPSAB1 (0.40) HSD11B1TPSAB1TPSD1TPSG1CHRNB2
SCHEMBL29703400 0.83 TPSAB1 (0.45) HSD11B1TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL29703407 0.83 TPSAB1 (0.45) HSD11B1TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL5623233 0.83 TPSAB1 (0.45) HSD11B1TPSAB1TPSD1TPSG1CA2
SCHEMBL12520131 0.83 TPSAB1 (0.45) HSD11B1TPSAB1TPSD1TPSG1CA2
SCHEMBL28288403 0.83 TPSAB1 (0.45) HSD11B1TPSAB1TPSD1TPSG1ALDH1A1

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
WO-2020115505-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-11 WO disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 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-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R HSD11B1 177/4885TPSAB1 501/4885TPSD1 359/4885

“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.