SCHEMBL12026432

SCHEMBL12026432

CC(C)N1CCCC(C(=O)c2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.54
KLK7 P49862 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ATM Q13315 1/20 0.49
MAPK1 P28482 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
SLC18A3 Q16572 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PREP P48147 2/20 0.45
FAP Q12884 1/20 0.45
PIK3CD O00329 1/20 0.44
ADRB2 P07550 1/20 0.43
CYP1A2 P05177 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
SCHEMBL28187874 0.90 KLK7 (0.49) KDM2BKLK7RXFP1ATMMAPK1
SCHEMBL28187875 0.88 KLK7 (0.48) KDM2BKLK7RXFP1ATMMAPK1
SCHEMBL12049726 0.83 KLK7 (0.56) KDM2BKLK7RXFP1ATMMAPK1
SCHEMBL18228368 0.81 KLK7 (0.60) KLK7RXFP1ATMMAPK1KMT2A
SCHEMBL15646173 0.80 KLK7 (0.58) KLK7RXFP1ATMMAPK1KMT2A
SCHEMBL18239387 0.79 KLK7 (0.58) KLK7RXFP1ATMMAPK1KMT2A
SCHEMBL28187822 0.78 ATM (0.57) KDM2BKLK7RXFP1ATMMAPK1
SCHEMBL8245353 0.78 SLC18A3 (0.56) ATMKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL9665275 0.78 SLC18A3 (0.56) ATMKMT2AMEN1NPSR1L3MBTL1
SCHEMBL19464168 0.78 SLC18A3 (0.54) KLK7RXFP1ATMALDH1A1SLC18A3

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 6 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

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 KDM2B 3054/4885KLK7 4803/4885RXFP1 1976/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KDM2B 3054/4885KLK7 4803/4885RXFP1 1976/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KDM2B 3054/4885KLK7 4803/4885RXFP1 1976/4885

“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.