SCHEMBL2539239

SCHEMBL2539239

CNC(=O)C1[CH]CCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PTPN1 P18031 1/20 0.32
HPGD P15428 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2541191 0.98 GRM4 (0.39) GRM4LMNANPSR1SMN1; SMN2RAB9A
SCHEMBL2539796 0.98 GRM4 (0.39) GRM4LMNANPSR1SMN1; SMN2RAB9A
SCHEMBL2533234 0.94
SCHEMBL2533421 0.87
SCHEMBL6697435 0.79 ALDH1A1 (0.34) GRM4LMNANPSR1PTPN1HPGD
SCHEMBL18025045 0.79 RAB9A (0.38) GRM4SMN1; SMN2RAB9ANPC1HDAC8
SCHEMBL2337264 0.76
SCHEMBL27511516 0.75
SCHEMBL2292291 0.75 SLC6A2 (0.37) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1864577 0.73

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
EP-2691379-B1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 GRM4 322/4885LMNA 3909/4885NPSR1 22/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 GRM4 386/4885LMNA 3913/4885NPSR1 19/4885

“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.