SCHEMBL14007607

SCHEMBL14007607

CCc1ccc2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.56
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
MCHR1 Q99705 4/20 0.39
EGFR P00533 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
DHFR P00374 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8250779 0.93 TRPC5 (0.49) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL8241916 0.92 TRPC5 (0.49) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL14002725 0.90 TRPC5 (0.47) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL14002615 0.89 TRPC5 (0.49) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4864355 0.89 TRPC5 (0.44) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL8250142 0.89 TRPC5 (0.54) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL21073879 0.89 TRPC5 (0.45) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4857678 0.88 TRPC5 (0.48) TRPC5MAPK1ALDH1A1MEN1KMT2A
SCHEMBL6368794 0.87 TRPC5 (0.43) TRPC5MAPK1ALDH1A1USP2MAPT
SCHEMBL8285090 0.87 KDM4E (0.53) TRPC5MAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 US disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 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-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION RIN1, ZC3HAV1L, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TRPC5 3696/4885MAPK1 2219/4885ALDH1A1 3486/4885

“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.