SCHEMBL3207639

SCHEMBL3207639

CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 10/20 0.42
MEN1 O00255 8/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
POLB P06746 4/20 0.41
ADRB2 P07550 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL3263122 0.89 KMT2A (0.40) SMN1; SMN2KMT2AMEN1POLBADRB2
SCHEMBL14693113 0.88 KMT2A (0.51) SMN1; SMN2KMT2AMEN1POLBADRB2
SCHEMBL1084994 0.83 MEN1 (0.62) GAAKMT2AMEN1POLBKDM4E
SCHEMBL3211335 0.82 DRD2 (0.48) MAPTALDH1A1PIK3CDTSHR
SCHEMBL1084309 0.79 KMT2A (0.49) GAASMN1; SMN2KMT2AMEN1POLB
SCHEMBL13439444 0.79 GAA (0.46) GAASMN1; SMN2KMT2AMEN1SMARCA2
SCHEMBL14340933 0.78 KMT2A (0.47) GAASMN1; SMN2KMT2AMEN1POLB
SCHEMBL12991321 0.78 MAPT (0.46) GAASMN1; SMN2KMT2AMEN1SMARCA2
SCHEMBL3532899 0.78 SMN1; SMN2 (0.47) GAASMN1; SMN2KMT2AMEN1SMARCA2
SCHEMBL12781798 0.78 SMN1; SMN2 (0.53) GAASMN1; SMN2KMT2AMEN1KDM4E

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-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-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
WO-2006127329-A1 QUINOLINE DERIVATIVES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 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 (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 GAA 1480/4885SMN1; SMN2 1298/4885KMT2A 1962/4885
US-20070099873-A1 Quinolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNQ5 GAA 1480/4885SMN1; SMN2 1298/4885KMT2A 1962/4885

“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.