SCHEMBL5396402

SCHEMBL5396402

O=C(CCc1cccnc1)NCCCOC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACHE P22303 3/20 0.47
BCHE P06276 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTAFR P25105 2/20 0.46
CHRM4 P08173 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL83006 0.85 ACHE (0.57) SIGMAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL82572 0.83 ACHE (0.65) SIGMAR1ACHEBCHEMAOAMAOB
SCHEMBL83943 0.81 BCHE (0.57) SIGMAR1NAMPTCYP3A4CYP2C9ACHE
SCHEMBL83942 0.81 BCHE (0.57) SIGMAR1NAMPTCYP3A4CYP2C9ACHE
SCHEMBL23884273 0.80 BCHE (0.54) SIGMAR1NAMPTACHEBCHE
SCHEMBL3458647 0.76 HTR2A (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL82115 0.75 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL82729 0.74 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30290547 0.74 NPFFR1 (0.52) SIGMAR1ACHEBCHE
SCHEMBL3079290 0.74 CHRM4 (0.47) SIGMAR1ALDH1A1ACHEBCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US disclosed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US disclosed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP disclosed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US disclosed
EP-0934309-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-08-11 EP disclosed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 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 (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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 SIGMAR1 2642/4885NAMPT 385/4885ALDH1A1 216/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 SIGMAR1 2521/4885NAMPT 346/4885ALDH1A1 168/4885

“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.