SCHEMBL5406451

SCHEMBL5406451

O=C1CCN[C@@H](c2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
GSK3B P49841 2/20 0.37
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.37
KDM1A O60341 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
CA1 P00915 1/20 0.34
MAOB P27338 3/20 0.33
LIG1 P18858 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL24366501 1.00 PRCP (0.42) PRCPTDP1MAPTGSK3BBACE1
SCHEMBL2708297 1.00 PRCP (0.42) PRCPTDP1MAPTGSK3BBACE1
Hydrochloric Acid SCHEMBL3717615 0.98 PRCP (0.41) PRCPTDP1MAPTGSK3BBACE1
SCHEMBL2707254 0.81 PRCP (0.47) PRCPMAPTLMNAKDM1ATP53
SCHEMBL29330477 0.81 PRCP (0.47) PRCPMAPTLMNAKDM1ATP53
SCHEMBL2708172 0.81 KDM1A (0.38) KDM1AMAPK1ALDH1A1MAOB
SCHEMBL29330391 0.81 KDM1A (0.38) KDM1AMAPK1ALDH1A1MAOB
SCHEMBL2705783 0.80 KDM4E (0.42) TDP1GSK3BMAPK1ALDH1A1CA1
Hydrochloric Acid SCHEMBL29116032 0.80 PRCP (0.46) PRCPMAPTLMNATP53GAA
Hydrochloric Acid SCHEMBL29116034 0.80 PRCP (0.46) PRCPMAPTLMNATP53GAA

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-20070135414-A1 Tachykinin Antagonists ALVARO GUISEPPE 2007-06-14 US disclosed
US-7196077-B2 Tachykinin antagonists GLAXO GROUP LIMITED (GB) 2007-03-27 US disclosed
EP-1377558-B1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-07-01 US disclosed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 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 (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-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists NPY1R, CRHR1, GRIN1 PRCP 2223/4885TDP1 4260/4885MAPT 3460/4885
US-20070135414-A1 Tachykinin Antagonists NPSR1, TACR2, NPY4R PRCP 2539/4885TDP1 4706/4885MAPT 3854/4885

“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.