SCHEMBL13596992

SCHEMBL13596992

CCCCC1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
DRD2 P14416 4/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTT P42858 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
MC4R P32245 1/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
CCR3 P51677 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL10755262 0.96 CCR3 (0.44) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL7868181 0.88 CCR3 (0.51) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL27857671 0.85 CCR3 (0.45) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL5230749 0.85 SIGMAR1 (0.44) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL5154581 0.84 SIGMAR1 (0.50) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL8984029 0.84 SIGMAR1 (0.50) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL8427500 0.84 CCR3 (0.44) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL1588025 0.82 SIGMAR1 (0.47) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL17825435 0.81 SIGMAR1 (0.62) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL5242533 0.80 SLC6A4 (0.53) SIGMAR1DRD2HTR1AHTR2AHTT

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 SIGMAR1 3734/4885DRD2 3070/4885HTR1A 3216/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 SIGMAR1 3387/4885DRD2 3419/4885HTR1A 2697/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 SIGMAR1 4754/4885DRD2 4525/4885HTR1A 3302/4885

“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.