SCHEMBL13597153

SCHEMBL13597153

CCCCC1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
TSHR P16473 2/20 0.58
HPGD P15428 2/20 0.58
DRD4 P21917 3/20 0.56
AKR1C1 Q04828 1/20 0.53
LMNA P02545 2/20 0.52
CHRM2 P08172 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 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
SCHEMBL2618041 0.87 NPC1 (0.72) NPC1RAB9ATSHRHPGDDRD4
SCHEMBL10723232 0.85 HDAC3 (0.55) HPGDL3MBTL3L3MBTL1HDAC3HDAC4
SCHEMBL10720264 0.85 HPGD (0.59) HPGDDRD4CHRM2L3MBTL3L3MBTL1
SCHEMBL13181087 0.84 HDAC3 (0.67) HPGDL3MBTL3L3MBTL1HDAC3HDAC4
SCHEMBL4924818 0.83 HDAC1 (0.74) NPC1RAB9ADRD4HDAC3HDAC4
SCHEMBL13597142 0.82 HDAC3 (0.58) TSHRHPGDLMNAHDAC3HDAC4
SCHEMBL13597164 0.82 ALDH1A1 (0.58) NPC1RAB9AHPGDL3MBTL1HDAC3
SCHEMBL10724466 0.80 CHRM1 (0.56) RAB9ATSHRDRD4CHRM2L3MBTL3
SCHEMBL7231605 0.80 ACHE (0.70) NPC1RAB9ADRD4CHRM2CA12
SCHEMBL13597150 0.79 FNTA (0.55) TSHRDRD4LMNACHRM2ALDH1A1

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 NPC1 4437/4885RAB9A 4117/4885TSHR 3222/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 NPC1 4190/4885RAB9A 4208/4885TSHR 2552/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 NPC1 4610/4885RAB9A 3610/4885TSHR 3963/4885

“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.