SCHEMBL13699036

SCHEMBL13699036

CC(C)CCN(C)CCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
TSHR P16473 4/20 0.60
TDP1 Q9NUW8 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.56
CYP2C19 P33261 5/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.51
CYP1A2 P05177 5/20 0.50
CYP3A4 P08684 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL13999586 0.89 KDM4E (0.61) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL12819456 0.88 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL31059181 0.88 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL31059180 0.88 KDM4E (0.68) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL13723510 0.85 TDP1 (0.53) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL13995587 0.84 KDM4E (0.60) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL22459090 0.83 TSHR (0.49) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL22435127 0.83 TSHR (0.49) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL172602 0.81 KDM4E (0.65) KDM4ETSHRTDP1NPSR1POLB
SCHEMBL574013 0.81 CYP1A2 (0.61) KDM4ETSHRTDP1CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 KDM4E 1806/4885TSHR 3740/4885TDP1 2159/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 KDM4E 1869/4885TSHR 4052/4885TDP1 1684/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KDM4E 1846/4885TSHR 53/4885TDP1 2695/4885

“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.