SCHEMBL4403328

SCHEMBL4403328

CN(C)CCN1Cc2c(Br)cccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.44
HEXB P07686 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PABPC1 P11940 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH1 P35367 4/20 0.40
SLC6A4 P31645 3/20 0.40
DRD2 P14416 3/20 0.40
HTR6 P50406 3/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL2730891 0.77 KDM4E (0.61) MAPTPOLBKDM4EALDH1A1MEN1
SCHEMBL1333882 0.76 PIM1 (0.46) POLBALDH1A1MEN1KMT2ACBLB
SCHEMBL31440135 0.76 HTR1A (0.46) HTR1AHTR7DRD3
SCHEMBL4405132 0.76 KDM4E (0.59) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL24148343 0.75 PIM1 (0.39) LMNAPOLBKDM4EALDH1A1CBLB
SCHEMBL24148887 0.74 ALDH1A1 (0.46) KDM4EALDH1A1CBLBPIM1CSNK1A1
SCHEMBL16213351 0.73 HEXA (0.61) HEXAHEXBLMNAMAPTPOLB
SCHEMBL450241 0.73 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ADRD2
SCHEMBL2728733 0.73 KDM4E (0.40) KDM4EALDH1A1MEN1NPC1KMT2A
SCHEMBL14351903 0.72 PDE10A (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (1 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-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A HEXA 1797/4885HEXB 2172/4885LMNA 4552/4885

“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.