SCHEMBL6960540

SCHEMBL6960540

CC(C)CCN1CCC[C@@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.46
SPHK2 Q9NRA0 5/20 0.46
GBA1 P04062 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL13995203 1.00 SPHK1 (0.46) SPHK1SPHK2GBA1POLBL3MBTL1
SCHEMBL20756342 0.83 HTT (0.34) SPHK1GBA1POLBL3MBTL1MAPT
SCHEMBL12039770 0.83 HRH3 (0.41) SPHK1GBA1POLBL3MBTL1MAPT
SCHEMBL13683784 0.81 SPHK1 (0.43) SPHK1SPHK2POLBL3MBTL1HTT
SCHEMBL14530162 0.81 SPHK1 (0.43) SPHK1SPHK2POLBL3MBTL1HTT
SCHEMBL19903704 0.81 SPHK1 (0.43) SPHK1SPHK2POLBL3MBTL1HTT
SCHEMBL18233593 0.79 SPHK1 (0.43) SPHK1SPHK2POLBL3MBTL1PARP1
SCHEMBL7792025 0.79 SPHK2 (0.56) SPHK1SPHK2GBA1POLBL3MBTL1
SCHEMBL11983314 0.79 SPHK2 (0.56) SPHK1SPHK2GBA1POLBL3MBTL1
SCHEMBL12057010 0.79 SPHK2 (0.56) SPHK1SPHK2GBA1POLBL3MBTL1

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-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 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 (4 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 SPHK1 2201/4885SPHK2 1493/4885GBA1 2331/4885
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 SPHK1 3844/4885SPHK2 4173/4885GBA1 1890/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 SPHK1 2201/4885SPHK2 1493/4885GBA1 2331/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR SPHK1 2371/4885SPHK2 2054/4885GBA1 704/4885

“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.