SCHEMBL2599489

SCHEMBL2599489

CC1COCCN1c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.53
LRRK2 Q5S007 1/20 0.52
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
PIK3C3 Q8NEB9 10/20 0.46
CHEK1 O14757 1/20 0.42
ATR Q13535 1/20 0.42
PDCD1 Q15116 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
NSD2 O96028 1/20 0.42
PIK3CD O00329 1/20 0.41

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
SCHEMBL251481 0.82 MTOR (0.52) MTORLRRK2PIK3C3
SCHEMBL249782 0.82 MTOR (0.52) MTORLRRK2PIK3C3
SCHEMBL249781 0.82 MTOR (0.52) MTORLRRK2PIK3C3
SCHEMBL14087877 0.79 PIK3C3 (0.48) MTORPIK3C3
SCHEMBL2599611 0.79 PIK3C3 (0.48) MTORPIK3C3ATRPIK3CD
SCHEMBL2599609 0.79 PIK3C3 (0.48) MTORPIK3C3ATRPIK3CD
SCHEMBL16388496 0.79 PIK3C3 (0.48) PIK3C3ATRPIK3CD
SCHEMBL16388748 0.79 PIK3C3 (0.48) PIK3C3ATRPIK3CD
SCHEMBL14087747 0.79 PIK3C3 (0.48) MTORPIK3C3
SCHEMBL2599663 0.79 PIK3C3 (0.48) MTORPIK3C3ATRPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US claimed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP claimed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO claimed
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
US-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US disclosed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US disclosed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO 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-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF PNMT, OPRL1, OPRM1 MTOR 2418/4885LRRK2 652/4885DRD2 61/4885

“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.