SCHEMBL301835

SCHEMBL301835

Cc1cc(NC(=O)NCCN2CCC(C(N)=O)CC2)cc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL3563192 0.88 KDM4E (0.46) POLBALDH1A1KDM4ECNR1NPSR1
SCHEMBL3559283 0.86 RAB9A (0.44) POLBKDM4ECNR1MEN1KMT2A
SCHEMBL301836 0.85 KDM4E (0.45) POLBALDH1A1KDM4ECNR1NPSR1
SCHEMBL3556286 0.85 KDM4E (0.45) POLBALDH1A1KDM4ECNR1NPSR1
SCHEMBL3554952 0.83 KDM4E (0.43) POLBALDH1A1KDM4ECNR1NPSR1
SCHEMBL3557010 0.81 CARM1 (0.52) POLBALDH1A1KDM4EMAPK1NPSR1
SCHEMBL3557299 0.79 CCR3 (0.67) POLBMEN1KMT2A
SCHEMBL3563441 0.78 RAB9A (0.42) POLBALDH1A1KDM4ECNR1MEN1
SCHEMBL3563189 0.78 KDM4E (0.41) POLBALDH1A1KDM4ECNR1MEN1
SCHEMBL27661919 0.77 CARM1 (0.56) POLBMEN1KMT2AMAPT

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
JP-4851328-B2 2012-01-11 JP claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
JP-2007506692-A 2007-03-22 JP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP claimed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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 (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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 POLB 4709/4885ALDH1A1 2078/4885KDM4E 1861/4885

“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.