SCHEMBL3384987

SCHEMBL3384987

COCCN(Cc1nc(C(=O)O)co1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CA14 Q9ULX7 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL16057149 0.80 CACNA1G (0.41)
SCHEMBL3386758 0.80 HRH3 (0.59) HRH3
SCHEMBL12407048 0.72 CACNA1G (0.37) HRH3
SCHEMBL17827868 0.70 SSTR4 (0.36) SSTR4MLYCDHDAC3HDAC1HDAC2
SCHEMBL3558466 0.69 HCAR2 (0.45) HRH3HCAR2
SCHEMBL13984783 0.69 HDAC1 (0.49) MLYCDHDAC3HDAC1HDAC2NCOR2
SCHEMBL1732802 0.69 USP30 (0.30)
SCHEMBL17873711 0.69 SSTR4 (0.36) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL3586130 0.69 KDM4A (0.40)
SCHEMBL25039089 0.69 ALOX5AP (0.35) HRH3HCAR2

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
EP-1771432-B1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-08 EP disclosed
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-25 US disclosed
US-7429659-B2 Furan compounds as histamine H3 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-30 US disclosed
US-20050222129-A1 Non-imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 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 (2 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-20050222129-A1 Non-imidazole heterocyclic compounds HRH3, HRH4, HRH2 SSTR4 1423/4885HRH3 1/4885MLYCD 3835/4885
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 SSTR4 1423/4885HRH3 1/4885MLYCD 3835/4885

“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.