SCHEMBL13596997

SCHEMBL13596997

CCCCC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 2/20 0.54
POLB P06746 1/20 0.54
ACHE P22303 1/20 0.53
CCR3 P51677 1/20 0.53
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8908408 0.91 CCR3 (0.63) KCNH2HRH3ACHECCR3ABL1
SCHEMBL4789907 0.87 CCR3 (0.61) KCNH2HRH3ACHECCR3ABL1
SCHEMBL12044684 0.85 KCNH2 (0.61) KCNH2HRH3ACHECCR3ABL1
SCHEMBL12040802 0.85 KCNH2 (0.61) KCNH2HRH3ACHECCR3ABL1
SCHEMBL13596995 0.82 MEN1 (0.52) HRH3ACHEABL1RIN1ALDH1A1
SCHEMBL13596970 0.82 HRH3 (0.56) KCNH2HRH3ACHECCR3ABL1
SCHEMBL69200 0.82 CCR3 (0.67) HRH3ACHECCR3ALDH1A1
SCHEMBL3107807 0.81 CCR3 (0.71) ACHECCR3ALDH1A1
SCHEMBL13596996 0.80 MEN1 (0.57) HRH3ACHEALDH1A1
SCHEMBL4499239 0.80 CCR3 (0.69) ACHECCR3ALDH1A1

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
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US disclosed
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 US disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US disclosed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 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 (3 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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 KCNH2 4353/4885HRH3 58/4885POLB 3054/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 KCNH2 3298/4885HRH3 62/4885POLB 2615/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 KCNH2 3893/4885HRH3 1194/4885POLB 1116/4885

“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.