SCHEMBL446831

SCHEMBL446831

COC(=O)C1(N)CCCN(C2CC(c3ccccc3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
SLC18A3 Q16572 5/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
LMNA P02545 2/20 0.38
GRIN2B Q13224 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ORAI1 Q96D31 1/20 0.38
AGTR2 P50052 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 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
SCHEMBL3630710 0.87 LTA4H (0.47) LTA4HSLC18A3ALDH1A1MAPTHSD11B1
SCHEMBL6243645 0.76 MEN1 (0.43) SLC18A3ALDH1A1MAPTKDM4E
SCHEMBL447088 0.72 LTA4H (0.72) LTA4HSLC18A3SIGMAR1GRIN2BHPGD
SCHEMBL5729653 0.71 CCR2 (0.52) SLC18A3ALDH1A1GRIN2BKDM4E
SCHEMBL21083725 0.70 CYP3A4 (0.58) ALDH1A1MAPTRAB9AHPGDHIF1A
SCHEMBL11563356 0.67 KDM4E (0.47) ALDH1A1MAPTLMNAKDM4EORAI1
SCHEMBL3510474 0.67 CYP2D6 (0.55) ALDH1A1LMNA
SCHEMBL8163598 0.67 KDM1A (0.42) MAPT
Hydrochloric Acid SCHEMBL15017981 0.66 CYP2D6 (0.54) ALDH1A1LMNA
SCHEMBL13744181 0.66 CYP2D6 (0.60) ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
CN-101679357-A Substituted heterocyclic derivatives and their pharmaceutical use and compositions PFIZER 2010-03-24 CN disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 LTA4H 2266/4885SLC18A3 3846/4885ALDH1A1 3777/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 LTA4H 2266/4885SLC18A3 3846/4885ALDH1A1 3777/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 LTA4H 2266/4885SLC18A3 3846/4885ALDH1A1 3777/4885

“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.