SCHEMBL240780

SCHEMBL240780

NCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 6/20 0.58
CHRNG P07510 6/20 0.58
CHRNB1 P11230 6/20 0.58
CHRND Q07001 6/20 0.58
CHRNB2 P17787 3/20 0.54
CHRNB4 P30926 3/20 0.54
CHRNA3 P32297 3/20 0.54
CHRNA4 P43681 3/20 0.54
GRIA1 P42261 5/20 0.53
CAPN1 P07384 2/20 0.49
CTSK P43235 2/20 0.49
CAPN9 O14815 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSH P09668 1/20 0.49
CTSS P25774 1/20 0.49
CTSC P53634 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL9090677 1.00 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL9091432 1.00 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL7208901 0.99 CHRND (0.60) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL9089190 0.92 CAPN1 (0.49) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL9089141 0.91 CHRND (0.61) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL10632510 0.90 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL14345716 0.88 CHRNB2 (0.67) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL9088720 0.87 CAPN1 (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL9090745 0.86 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNDCAPN1
SCHEMBL31607684 0.86 CAPN1 (0.68) CHRNA1CHRNGCHRNB1CHRNDCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8104683-A None JP disclosed
JP-7070098-A None JP disclosed
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY GENESTE HERVE (DE) 2012-01-05 US disclosed
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 US disclosed
US-5556853-A THIOL PROTEASE INHIBITORS, TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-17 US disclosed
JP-H08104683-A EPOXY SUCCINIC ACID DERIVATIVE TAKEDA CHEM IND LTD 1996-04-23 JP disclosed
EP-0655447-A1 Epoxysuccinic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1995-05-31 EP disclosed
JP-H0770098-A PHYSIOLOGICALLY ACTIVE PEPTIDE-BASED COMPOUND SAGAMI CHEM RES CENTER 1995-03-14 JP disclosed
JP-H00770098-A 0001-01-01 JP 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-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN CHRNA1 168/4885CHRNG 71/4885CHRNB1 192/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 CHRNA1 172/4885CHRNG 66/4885CHRNB1 205/4885

“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.