SCHEMBL4721756

SCHEMBL4721756

CCN(CC)c1ncco1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
ELANE P08246 7/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HTT P42858 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
SCHEMBL5111243 0.85 UTS2R (0.36) ELANESMN1; SMN2HTT
SCHEMBL4724016 0.83 HCAR3 (0.35) HTT
SCHEMBL4764157 0.80
SCHEMBL4721464 0.79 ELANE (0.39) ELANESMN1; SMN2HTT
SCHEMBL4721466 0.77 ELANE (0.38) ELANESMN1; SMN2HTT
SCHEMBL4722845 0.73
SCHEMBL4724154 0.72 HCAR3 (0.37) KMT2ATRPM8
SCHEMBL16295671 0.70
SCHEMBL4723841 0.70 HRH3 (0.36) KMT2A
SCHEMBL18964100 0.69 TRPM8 (0.37) KMT2ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937078-B1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2003-02-12 EP claimed
US-20010047094-A1 Tricyclic carbapenem compounds GLAXO WELLCOME SPA 2001-11-29 US claimed
EP-0937078-A1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXO WELLCOME S.p.A. (IT) 1999-08-25 EP claimed
WO-1998021210-A1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXO WELLCOME S.P.A. (IT) 1998-05-22 WO claimed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
US-6531466-B2 E.g., a 1-aza-10-(1-hydroxyethyl-11-oxo-4-(het-methylene)-tricyclo(7.2 .0.0(3,8))undec-2-ene-2-carboxylate; good activity against grampositive bacteria such as methicillin-resistant Staphylococcus aureus and epidermidis GLAXOSMITHKLINE SPA (IT) 2003-03-11 US disclosed
EP-0937078-B1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2003-02-12 EP disclosed
EP-1275301-A1 Trisubstituted heterocyclic compounds and their use as fungicides Bayer CropScience S.A. (FR) 2003-01-15 EP disclosed
US-20010047094-A1 Tricyclic carbapenem compounds GLAXO WELLCOME SPA 2001-11-29 US disclosed
EP-0937078-A1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXO WELLCOME S.p.A. (IT) 1999-08-25 EP disclosed
WO-1998021210-A1 TRICYCLIC CARBAPENEM COMPOUNDS GLAXO WELLCOME S.P.A. (IT) 1998-05-22 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 (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-20010047094-A1 Tricyclic carbapenem compounds OXA1L, GNE, MGAM GBA1 2820/4885ELANE 582/4885KMT2A 1665/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 GBA1 3649/4885ELANE 2494/4885KMT2A 3345/4885

“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.