SCHEMBL7704030

SCHEMBL7704030

Cc1cccc(C)c1NC(=O)C1CCCN(C(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
SCN4A P35499 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KCNK3 O14649 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL12049942 0.83 SCN4A (0.57) SCN4AKMT2AMEN1KCNK3LMNA
SCHEMBL22412428 0.82 MEN1 (0.50) ATMKMT2AMEN1LMNAMAPT
SCHEMBL18997929 0.82 HPGD (0.57) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL16076618 0.82 HPGD (0.57) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL12026494 0.80 SCN4A (0.54) SCN4AKMT2AMEN1KCNK3LMNA
SCHEMBL22430578 0.79 MEN1 (0.64) SCN4AKMT2AMEN1KCNK3LMNA
SCHEMBL22423670 0.75 MEN1 (0.68) SCN4AKMT2AMEN1KCNK3LMNA
SCHEMBL10168925 0.75 GAA (0.52) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL24777624 0.74 BCHE (0.49) KMT2AMEN1ALDH1A1CYP2D6KDM2B
SCHEMBL20315439 0.74 TSHR (0.60) KMT2AMEN1LMNAPOLBCYP2D6

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-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (3 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ATM 3284/4885SCN4A 1237/4885KMT2A 2900/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ATM 3284/4885SCN4A 1237/4885KMT2A 2900/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ATM 3284/4885SCN4A 1237/4885KMT2A 2900/4885

“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.