SCHEMBL3263122

SCHEMBL3263122

CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3C(F)F)cc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
POLB P06746 4/20 0.39
ADRB2 P07550 1/20 0.39
PIK3CD O00329 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL3207639 0.89 GAA (0.43) KMT2AMEN1POLBADRB2PIK3CD
SCHEMBL14693113 0.84 KMT2A (0.51) KMT2AMEN1POLBADRB2KDM4E
SCHEMBL13157346 0.80 MEN1 (0.46) KMT2AMEN1POLBADRB2KDM4E
SCHEMBL3528119 0.79 FAAH (0.42) KMT2AMEN1MAPTHSD17B10TSHR
SCHEMBL12991312 0.79 ITGB2 (0.40) KMT2AMEN1POLBKDM4EMAPK1
SCHEMBL12991293 0.79 ITGB2 (0.51) SMN1; SMN2HRH4HPGD
SCHEMBL12991427 0.76 CYP1A2 (0.45) KMT2AMEN1POLBKDM4EMAPK1
SCHEMBL1084994 0.72 MEN1 (0.62) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL3222663 0.72 DRD2 (0.47) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL3211335 0.72 DRD2 (0.48) PIK3CDMAPTTSHRNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372843-B2 Quinolines useful as modulators of ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-8372843-B2 Quinolines useful as modulators of ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-8372843-B2 Quinolines useful as modulators of ION channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20100137331-A1 Quinolines Useful as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-20100137331-A1 Quinolines Useful as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-20100137331-A1 Quinolines Useful as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-7683066-B2 Isoquinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683066-B2 Isoquinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683066-B2 Isoquinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-20070099873-A1 Quinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 US disclosed
US-20070099873-A1 Quinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 US disclosed
US-20070099873-A1 Quinolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 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 (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-20100137331-A1 Quinolines Useful as Modulators of ION Channels KCNQ1, KCNQ2, KCNQ5 KMT2A 1962/4885MEN1 1881/4885POLB 4224/4885
US-20070099873-A1 Quinolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNQ5 KMT2A 1962/4885MEN1 1881/4885POLB 4224/4885

“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.