SCHEMBL4867322

SCHEMBL4867322

NCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.63
TLR2 O60603 1/20 0.59
TLR1 Q15399 1/20 0.59
ALDH1A1 P00352 2/20 0.59
HDAC4 P56524 1/20 0.56
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
HPGD P15428 1/20 0.50
DEGS1 O15121 1/20 0.49
NAMPT P43490 1/20 0.48

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
SCHEMBL4872861 1.00 SIGMAR1 (0.63) SIGMAR1TLR2TLR1ALDH1A1HDAC4
Hydrochloric Acid SCHEMBL5089349 0.99 SIGMAR1 (0.62) SIGMAR1TLR2TLR1ALDH1A1HDAC4
Hydrochloric Acid SCHEMBL5089351 0.99 SIGMAR1 (0.62) SIGMAR1TLR2TLR1ALDH1A1HDAC4
SCHEMBL5180920 0.87 SIGMAR1 (0.80) SIGMAR1TLR2TLR1ALDH1A1DRD2
SCHEMBL5180929 0.87 SIGMAR1 (0.80) SIGMAR1TLR2TLR1ALDH1A1DRD2
SCHEMBL17748295 0.86 SIGMAR1 (0.67) SIGMAR1TLR2TLR1
SCHEMBL870999 0.84 SIGMAR1 (0.66) SIGMAR1TLR2TLR1
SCHEMBL17117412 0.84 ALDH1A1 (0.64) SIGMAR1TLR2TLR1ALDH1A1HDAC4
SCHEMBL10123276 0.84 SIGMAR1 (0.66) SIGMAR1TLR2TLR1
SCHEMBL7950428 0.84 SIGMAR1 (0.69) SIGMAR1TLR2TLR1ALDH1A1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US claimed
US-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1797036-A1 SIGMA RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2007-06-20 EP disclosed
WO-2006027252-A1 SIGMA RECEPTOR LIGANDS UCB PHARMA, SA (BE) 2006-03-16 WO disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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 (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-20080153917-A1 Sigma Receptor Ligands SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885TLR2 217/4885TLR1 452/4885

“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.